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Prof.Dr.

Yusuf ATALAY

Fen Fakültesi

Fizik Bölümü

İletişim

yatalay@sakarya.edu.tr

(264) 295 60 83

1-MAKALELER :
1 YUSUF ATALAY; MUSTAFA ARSLAN; - Synthesis and theoretical calculations of carbazole substituted chalcone urea derivatives and studies their polyphenol oxidase enzyme activity - Journal of Enzyme Inhibition and Medicinal Chemistry - Vol.25 - pp.808 - ISSN : 1475-6366 - DOI : 10.3109/14756366.2012.688040 - Ağustos - 2013
1.1 A-SCI, SCI-E, SSCI VEYA AHCI KAPSAMINDAKİ DERGİLERDE YAYIMLANMIŞ MAKALE (Q1 OLARAK TARANAN DERGİDE) :
1 Tamer, Ö; Simsek, M; Dege, N; Avci, D; Atalay, Y; - The effect of complex formation on the static and frequency-dependent nonlinear optical properties: A combined experimental and theoretical investigation - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.325 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2024.125138 - JAN 15 - English - Article - 2025 - WOS:001319192700001
2 Avci, D; Cömert, HE; Sönmez, F; Dege, N; Tamer, Ö; Atalay, Y; - Comparative assessment of structure-property relationships of new Cu(II) complex in selected density functionals - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.305 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2023.123489 - JAN 15 - English - Article - 2024 - WOS:001101689500001
3 Tamer, Omer; Simsek, Merve; Avci, Davut; Atalay, Yusuf; - Static/dynamic first and second order hyperpolarizabilities, optimized structures, IR, UV-Vis, 1H and 13C NMR spectra for effective charge transfer compounds: A DFT study - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.286 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2022.122005 - English - Article - 2023 - WOS:000878681900002
4 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - A novel series of M(II) complexes of 6-methylpyridine-2-carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, alpha-glucosidase activity, density functional theory calculations and molecular docking (vol 33, e4935, 2019) - APPLIED ORGANOMETALLIC CHEMISTRY - ISSN : 0268-2605 - DOI : 10.1002/aoc.6591 - - English - Early Access - 2022 - WOS:000739672300001
5 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Ozturk, D; Dege, N; - A new dinuclear copper(II) complex of 2,5-furandicarboxyclic acid with 4(5)-methylimidazole as a high potential alpha-glucosidase inhibitor: Synthesis, crystal structure, cytotoxicity study, and TD/DFT calculations (vol 33, e4725, 2019) - APPLIED ORGANOMETALLIC CHEMISTRY - ISSN : 0268-2605 - DOI : 10.1002/aoc.6590 - - English - Early Access - 2022 - WOS:000743281200001
6 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - Synthesis, spectral properties, in vitro alpha-glucosidase inhibitory activity and quantum chemical calculations of novel mixed-ligand M(II) complexes containing 1,10-phenanthroline (vol 34, e5412, 2020) - APPLIED ORGANOMETALLIC CHEMISTRY - ISSN : 0268-2605 - DOI : 10.1002/aoc.6592 - - English - Early Access - 2022 - WOS:000746928600001
7 Dege, N; Tamer, O; Simsek, M; Avci, D; Yaman, M; Basoglu, A; Atalay, Y; - Experimental and theoretical approaches on structural, spectroscopic (FT-IR and UV-Vis), nonlinear optical, and molecular docking analyses for Zn (II) and Cu (II) complexes of 6-chloropyridine-2-carboxylic acid - APPLIED ORGANOMETALLIC CHEMISTRY - ISSN : 0268-2605 - DOI : 10.1002/aoc.6678 - - English - Article - 2022 - WOS:000777966100001
8 Tamer, O; Simsek, M; Avci, D; Atalay, Y; - First and second order hyperpolarizabilities of flavonol derivatives: A density functional theory study - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.283 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2022.121728 - DEC 15 2022 - English - Article - 2022 - WOS:000841433400001
9 Avci, D; Saeedi, Y; Basoglu, A; Dege, N; Alturk, S; Tamer, O; Atalay, Y; - Novel Mn(II) and Zn(II) complexes of 6-bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations - APPLIED ORGANOMETALLIC CHEMISTRY - Vol.35 - ISSN : 0268-2605 - DOI : 10.1002/aoc.6125 - MAR 2021 - English - Article - 2021 - WOS:000600501800001
10 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - A novel series of mixed-ligand M(II) complexes containing 2,2 '-bipyridyl as potent alpha-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking (vol 24, pg 747, 2019) - JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY - Vol.26 - pp.639 - ISSN : 0949-8257 - DOI : 10.1007/s00775-021-01880-w - AUG 2021 - English - Correction - 2021 - WOS:000673479900001
11 Dege, N; Ozge, O; Avci, D; Basoglu, A; Sonmez, F; Yaman, M; Tamer, O; Atalay, Y; Kurt, BZ; - Concentration effects on optical properties, DFT, crystal characterization and alpha-glucosidase activity studies: Novel Zn(II) complex - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.262 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2021.120072 - DEC 5 2021 - English - Article - 2021 - WOS:000677654100018
12 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - Synthesis, spectral properties, in vitro alpha-glucosidase inhibitory activity and quantum chemical calculations of novel mixed-ligand M(II) complexes containing 1,10-phenanthroline - APPLIED ORGANOMETALLIC CHEMISTRY - ISSN : 0268-2605 - DOI : 10.1002/aoc.5412 - APR 2020 - English - Early Access - 2020 - WOS:000508542800001
13 Tamer, O; Mahmoody, H; Feyzioglu, KF; Kilinc, O; Avci, D; Orun, O; Dege, N; Atalay, Y; - Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4-methoxy-pyridine-2-carboxylic acid, molecular docking studies and investigation of their anti-tumor effects in vitro - APPLIED ORGANOMETALLIC CHEMISTRY - Vol.34 - ISSN : 0268-2605 - DOI : 10.1002/aoc.5416 - English - Article - 2020 - WOS:000504006700001
14 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - A novel series of M(II) complexes of 6-methylpyridine-2-carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, alpha-glucosidase activity, density functional theory calculations and molecular docking - APPLIED ORGANOMETALLIC CHEMISTRY - Vol.33 - ISSN : 0268-2605 - DOI : 10.1002/aoc.4935 - English - Article - 2019 - WOS:000475943500031
15 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Zengin Kurt, B; Ozturk, D; Dege, N; - A new dinuclear copper (II) complex of 2,5-Furandicarboxyclic acid with 4(5)-Methylimidazole as a high potential alpha-glucosidase inhibitor: Synthesis, Crystal structure, Cytotoxicity study, and TD/DFT calculations - APPLIED ORGANOMETALLIC CHEMISTRY - Vol.33 - ISSN : 0268-2605 - DOI : 10.1002/aoc.4725 - English - Article - 2019 - WOS:000459182800031
16 Basoglu, A; Avci, D; Atalay, Y; Celik, F; Sahinbas, T; - Theoretical studies on molecular structure and vibrational spectra of 8-hydroxyquinolinium picrate (vol 79, pg 1425, 2011) - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.218 - pp.15 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2019.03.096 - English - Correction - 2019 - WOS:000471333300003
17 Alturk, S; Avci, D; Basoglu, A; Tamer, O; Atalay, Y; Dege, N; - Copper(II) complex with 6-methylpyridine-2-carboxyclic acid: Experimental and computational study on the XRD, FT-IR and UV-Vis spectra, refractive index, band gap and NLO parameters - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.190 - pp.220 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2017.09.041 - English - Article - 2018 - WOS:000415912500030
18 Tamer, O; Avci, D; Celikoglu, E; Idil, O; Atalay, Y; - Crystal growth, structural and spectroscopic characterization, antimicrobial activity, DNA cleavage, molecular docking and density functional theory calculations of Zn(II) complex with 2-pyridinecarboxylic acid - APPLIED ORGANOMETALLIC CHEMISTRY - Vol.32 - ISSN : 0268-2605 - DOI : 10.1002/aoc.4540 - English - Article - 2018 - WOS:000448052500022
19 Avci, D; Tamer, O; Atalay, Y; - Solvatochromic effect on UV-vis absorption and fluorescence emission spectra, second- and third-order nonlinear optical properties of dicyanovinyl-substituted thienylpyrroles: DFT and TDDFT study - JOURNAL OF MOLECULAR LIQUIDS - Vol.220 - pp.495 - ISSN : 0167-7322 - DOI : 10.1016/j.molliq.2016.05.023 - English - Article - 2016 - WOS:000378953900065
20 Tamer, O; Dege, N; Avci, D; Atalay, Y; Ilhan, IO; Cadir, M; - Synthesis, structural and spectroscopic evaluations and nonlinear optical properties of 3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioic O-acid - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.137 - pp.1387 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2014.08.111 - English - Article - 2015 - WOS:000365059700004
21 Tamer, O; Avci, D; Atalay, Y; - The effects of electronegative substituent atoms on structural, vibrational, electronic and NLO properties of some 4-nitrostilbene derivates - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.136 - pp.644 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2014.09.078 - English - Article - 2015 - WOS:000347585300058
22 Oner, N; Tamer, O; Avci, D; Atalay, Y - Conformational, spectroscopic and nonlinear optical properties of biologically active N,N-dimethyltryptamine molecule: A theoretical study - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.133 - pp.542 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2014.06.037 - DEC 10 - English - Article - 2014 - WOS:000340330900071
23 Gumus, HP; Tamer, O; Avci, D; Atalay, Y - Quantum chemical calculations on the geometrical, conformational, spectroscopic and nonlinear optical parameters of 5-(2-Chloroethyl)-2,4-dichloro-6-methylpyrimidine - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.129 - pp.219 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2014.03.031 - AUG 14 - English - Article - 2014 - WOS:000337199700026
24 Tamer, O; Dege, N; Demirtas, G; Avci, D; Atalay, Y; Macit, M; Agar, AA - An experimental and theoretical study on the novel (Z)-1-((naphthalen-2-ylamino)methylene)naphthalen-2(1H)-one crystal - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.117 - pp.13 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2013.07.098 - JAN 3 - English - Article - 2014 - WOS:000328179900003
25 Tamer, O; Avci, D; Atalay, Y - Quantum chemical characterization of N-(2-hydroxybenzylidene) acetohydrazide (HBAH): A detailed vibrational and NLO analysis - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.117 - pp.78 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2013.07.112 - JAN 3 - English - Article - 2014 - WOS:000328179900011
26 Gumus, HP; Tamer, O; Avci, D; Atalay, Y; - Effects of donor-acceptor groups on the structural and electronic properties of 4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1, 2-dihydropyridine-3-carbonitrile - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.132 - pp.183 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2014.04.128 - English - Article - 2014 - WOS:000340330800022
27 Kunduracioglu, A; Tamer, O; Avci, D; Kani, I; Atalay, Y; Cetinkaya, B - 1-Pentamethylbenzyl-3-(n)buthylbenzimidazolesilver(I)bromide complex: Synthesis, characterization and DFT calculations - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.121 - pp.35 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2013.10.075 - 38412 - English - Article - 2014 - WOS:000331341100005
28 Dege, N; Senyuz, N; Bati, H; Gunay, N; Avci, D; Tamer, O; Atalay, Y - The synthesis, characterization and theoretical study on nicotinic acid [1-(2,3-dihydroxyphenyl)methylidene]hydrazide - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.120 - pp.323 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2013.10.030 - FEB 24 - English - Article - 2014 - WOS:000331342500042
29 Hacer Pir, Nergin Günay, Ömer Tamer, Davut Avcı, Yusuf Atalay - Theoretical investigation of 5-(2-Acetoxyethyl)-6-methylpyrimidin-2, 4-dione: Conformational study, NBO and NLO analysis, molecular structure and NMR spectra - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.112 - pp.331 - DOI : 10.1016/j.saa.2013.04.063 - Ağustos - 2013
30 Pir, H; Gunay, N; Tamer, O; Avci, D; Atalay, Y; - Theoretical investigation of 5-(2-Acetoxyethyl)-6-methylpyrimidin-2, 4-dione: Conformational study, NBO and NLO analysis, molecular structure and NMR spectra - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.112 - pp.331 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2013.04.063 - AUG - English - Article - 2013 - WOS:000321404300044
31 Pir, H; Gunay, N; Avci, D; Atalay, Y; - Molecular structure, vibrational spectra, NLO and NBO analysis of bis(8-oxy-1-methylquinolinium) hydroiodide - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.96 - pp.916 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2012.07.044 - OCT - English - Article - 2012 - WOS:000311248500115
32 Pir, H; Gunay, N; Avci, D; Atalay, Y - Molecular structure, vibrational spectra, NLO and NBO analysis of bis(8-oxy-1-methylquinolinium) hydroiodide - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.96 - pp.916 - ISSN : 10.1016/j.saa.2012.07.044 - OCT - 2012
33 Basoglu, A; Avci, D; Atalay, Y; Celik, F; Sahinbas, T - Theoretical studies on molecular structure and vibrational spectra of 8-hydroxyquinolinium picrate - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.79 - pp.1425 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2011.04.080 - SEP - English - Article - 2011 - WOS:000293363000086
34 Pekparlak, A; Avci, D; Comert, H; Atalay, Y; - Theoretical studies of molecular structure and vibrational spectra of melaminium acetate acetic acid solvate monohydrate - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.77 - pp.696 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2010.06.037 - OCT 15 - English - Article - 2010 - WOS:000282672100020
35 Avci, D; Atalay, Y; Sekerci, M; Dincer, M; - Molecular structure and vibrational and chemical shift assignments of 3-(2-Hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-(4H)-thione by DFT and ab initio HF calculations - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.73 - pp.212 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2009.01.020 - JUL - English - Article - 2009 - WOS:000265516400037
36 Tarcan, E; Altindag, O; Avci, D; Atalay, Y; - Molecular structure and vibrational assignment of melaminium phthalate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.71 - pp.169 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2007.12.008 - NOV 1 - English - Article - 2008 - WOS:000259833200028
37 Atalay, Y; Avci, D; Basoglu, A; - Molecular structure, vibrational and chemical shift assignments of 8-hydroxy-1-methylquinolinium iodide hydrate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.71 - pp.760 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2008.01.037 - DEC 1 - English - Article - 2008 - WOS:000261118400006
38 Atalay, Y; Basoglu, A; Avci, D; - Molecular structure, IR and NMR spectra of 2,6 distyrylpyridine by density functional theory and ab initio Hartree-Fock calculations - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.69 - pp.460 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2007.04.022 - FEB - English - Article - 2008 - WOS:000253599700025
39 Yakuphanoglu, F; Atalay, Y; Sekerci, M; - A theoretical study on N-phenyl-N '-(2-thienylmethylene)hydrazine - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.66 - pp.438 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2006.03.019 - FEB - English - Article - 2007 - WOS:000243775500034
40 Atalay, Y; Avci, D; - Theoretical studies of molecular structure and vibrational spectra of melaminium citrate - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.67 - pp.327 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2006.07.022 - JUN - English - Article - 2007 - WOS:000247060300007
41 Sekerci, M; Atalay, Y; Yakuphanoglu, F; Avci, D; Basoglu, A; - A theoretical study on 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.67 - pp.503 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2006.08.007 - JUN - English - Article - 2007 - WOS:000247060300032
42 Atalay, Y; Yakuphanoglu, E; Sekerci, M; Avci, D; Basoglu, A; - Theoretical studies of molecular structure and vibrational spectra of 2-amino-5-phenyl-1,3,4-thiadiazole - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.64 - pp.68 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2005.06.038 - May.01 - English - Article - 2006 - WOS:000237405500008
43 Atalay, Y; Ucun, F; Avci, D; Basoglu, A; - Vibrational spectra and molecular structure of chiral and racemic 4-phenyl-1,3-oxazolidin-2-one by density functional theory and ab initio Hartree-Fock calculations - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.64 - pp.549 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2005.07.078 - JUN - English - Article - 2006 - WOS:000237843100001
44 Atalay, Y; Yakuphanoglu, F; Sekerci, M; - The molecular structure and vibrational spectra of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H) by Hartree-Fock and density functional methods - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY - Vol.65 - pp.964 - ISSN : 1386-1425 - DOI : 10.1016/j.saa.2006.02.001 - NOV - English - Article - 2006 - WOS:000241785300072
1.1 B-SCI, SCI-E, SSCI VEYA AHCI KAPSAMINDAKİ DERGİLERDE YAYIMLANMIŞ MAKALE (Q2 OLARAK TARANAN DERGİDE) :
1 Simsek, M; Tamer,Ö; Dege, N; Avci, D; Atalay, Y; - Investigation on the effect of complex formation on prominent high static/ dynamic first and second hyperpolarizability of Co(II) complex including 4-chloro-Pyridine-2-Carboxylic acid - MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING - Vol.188 - ISSN : 1369-8001 - DOI : 10.1016/j.mssp.2024.109179 - MAR 15 - English - Article - 2025 - WOS:001373410600001
2 Djabbour, S; Benmohammed, A; Besseboua, O; Boukabcha, N; Goudjil, M; Megrouss, Y; Azayez, M; Dege, N; Chouaih, A; Atalay, Y; Djafri, A; - Synthesis, crystal structure, Hirshfeld surface analysis, NCI-RDG, molecular docking, molecular dynamic simulations, and toxicity assessment of 2-((2, 4-dimethoxybenzylidene) hydrazono)-1, 2-diphenylethanone - JOURNAL OF MOLECULAR STRUCTURE - Vol.1324 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2024.140756 - MAR 5 - English - Article - 2025 - WOS:001415807900001
3 Simsek, M; Avci, D; Sönmez, F; Basoglu, A; Tamer, O; Atalay, Y; - Unveiling the NLO Potential of New Zn (II) Complex of 6-Methylpyridine-2-Carboxaldehyde: Experimental/DFT Study on Spectral, Static, and Frequency-Dependent Linear/Nonlinear Optical Parameters - APPLIED ORGANOMETALLIC CHEMISTRY - Vol.39 - ISSN : 0268-2605 - DOI : 10.1002/aoc.7798 - FEB - English - Article - 2025 - WOS:001330426800001
4 Bensbaa, M; Simsek, M; Derin, E; Tamer, O; Dege, N; Avci, D; Boukelkoul, M; Atalay, Y; - Influence of Co(II) and Cd(II) metal ions on structural, electronic and nonlinear optical properties of 4-methoxypyridine-2-carboxylic acid complexes: An experimental and computational study - MATERIALS TODAY COMMUNICATIONS - Vol.40 - DOI : 10.1016/j.mtcomm.2024.109403 - AUG - English - Article - 2024 - WOS:001253763800001
5 Avci, D; Özge,Ö; Sönmez, F; Basoglu, A; Tamer,Ö; Atalay, Y; - Novel schiff base-azide metal complexes: Synthesis, spectral, nonlinear optics, and DFT studies - MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING - Vol.179 - ISSN : 1369-8001 - DOI : 10.1016/j.mssp.2024.108523 - AUG 15 - English - Article - 2024 - WOS:001243266100001
6 Bensebaa, M; Boukelkoul, M; Tamer, Ö; Atalay, Y; Avci, D; - Theoretical Investigation of Structural, Spectroscopic (IR, 1H and 13C NMR), Static, and Frequency-Dependent Nonlinear Optical Properties of 4-[(1E)-3-(4-Methoxyphenyl)-3-Oxoprop-1-en-1-yl]Phenyl 4-Methylbenzene-1-Sulfonate - POLYCYCLIC AROMATIC COMPOUNDS - Vol.44 - pp.4620 - ISSN : 1040-6638 - DOI : 10.1080/10406638.2023.2254906 - AUG 8 - English - Article - 2024 - WOS:001093010500001
7 Simsek, M; Avci, D; Sönmez, F; Basoglu, A; Tamer, O; Atalay, Y; - Unveiling the NLO Potential of New Zn (II) Complex of 6-Methylpyridine-2-Carboxaldehyde: Experimental/DFT Study on Spectral, Static, and Frequency-Dependent Linear/Nonlinear Optical Parameters - APPLIED ORGANOMETALLIC CHEMISTRY - Vol.0 - ISSN : 0268-2605 - DOI : 10.1002/aoc.7798 - OCT 7 - English - Article - 2024 - WOS:001330426800001
8 Simsek, M; Tamer,Ö; Dege, N; Avci, D; Mahmoody, H; Atalay, Y; - A new mixed-ligand zinc(II) complex of 3-hydroxy and 4-chloro substituted pyridine-2-carboxylic acid: Synthesis, characterization, NLO properties and DFT calculation - MATERIALS TODAY COMMUNICATIONS - Vol.38 - DOI : 10.1016/j.mtcomm.2024.108021 - MAR - English - Article - 2024 - WOS:001162571200001
9 Ozge, Ozgen; Avci, Davut; Sonmez, Fatih; Tamer, Oemer; Dege, Necmi; Basoglu, Adil; Atalay, Yusuf; Kurt, Belma Zengin; - Synthesis, DFT calculations, alpha-glucosidase inhibitor activity, and docking studies on Schiff base metal complexes containing isothiocyanate - APPLIED ORGANOMETALLIC CHEMISTRY - Vol.37 - ISSN : 0268-2605 - DOI : 10.1002/aoc.7084 - English - Article - 2023 - WOS:000959474300001
10 Tamer, Omer; Dege, Necmi; Avci, Davut; Atalay, Yusuf; - The static and frequency-dependent second- and third-order nonlinear optical properties of Zn(II) and Ni(II) complexes of 4-methoxypyridine-2-carboxylic acid: A detailed experimental and theoretical study - APPLIED ORGANOMETALLIC CHEMISTRY - ISSN : 0268-2605 - DOI : 10.1002/aoc.7206 - JUL 27 - English - Article - 2023 - WOS:001037253600001
11 Karrouchi, K; Fettach, S; Tamer, Ö; Avci, D; Basoglu, A; Atalay, Y; Radi, S; Ghabbour, HA; Mabkhot, YN; Faouzi, ME; Ansar, M; - Experimental and Computational Interaction Studies of (E)-N'-Benzylidene-5-Methyl-1H-Pyrazole-3-Carbohydrazide with α-Glucosidase and α-Amylase Enzymes: A Detailed Structural, Spectroscopic, and Biophysical Study - POLYCYCLIC AROMATIC COMPOUNDS - Vol.43 - pp.1812 - ISSN : 1040-6638 - DOI : 10.1080/10406638.2022.2036774 - FEB 7 - English - Article - 2023 - WOS:000753823000001
12 Karrouchi, K; Fettach, S; Tamer, Ö; Avci, D; Basoglu, A; Atalay, Y; Radi, S; Ghabbour, HA; Mabkhot, YN; Faouzi, ME; Ansar, M; - Experimental and Computational Interaction Studies of (E)-N'-Benzylidene-5-Methyl-1H-Pyrazole-3-Carbohydrazide with α-Glucosidase and α-Amylase Enzymes: A Detailed Structural, Spectroscopic, and Biophysical Study - POLYCYCLIC AROMATIC COMPOUNDS - Vol.43 - pp.1812 - ISSN : 1040-6638 - DOI : 10.1080/10406638.2022.2036774 - FEB 7 - English - Article - 2023 - WOS:001143689200003
13 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent a-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking (vol 25, pg 171, 2021) - MOLECULAR DIVERSITY - Vol.26 - pp.2373 - ISSN : 1381-1991 - DOI : 10.1007/s11030-021-10299-z - AUG 2022 - English - Correction - 2022 - WOS:000696746900001
14 Karrouchi, K; Fettach, S; Tamer, O; Avci, D; Basoglu, A; Atalay, Y; Ayaz, Z; Radi, S; Ghabbour, HA; Mabkhot, YN; Faouzi, ME; Ansar, M; - Synthesis, crystal structure, spectroscopic characterization, alpha-glucosidase inhibition and computational studies of (E)-5-methyl- N '-(pyridin-2-ylmethylene)-1H-pyrazole-3-carbohydrazide - JOURNAL OF MOLECULAR STRUCTURE - Vol.1248 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2021.131506 - English - Article - 2022 - WOS:000703670300007
15 Dege, N; Tamer, O; Yaman, M; Basoglu, A; Avci, D; Atalay, Y; - Crystallographic, spectroscopic, thermal, optical investigations and density functional theory calculations for novel Co(II) and Mn(II) complexes - APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING - Vol.127 - ISSN : 0947-8396 - DOI : 10.1007/s00339-020-04267-x - JAN 23 2021 - English - Article - 2021 - WOS:000612849300001
16 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent alpha-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking - MOLECULAR DIVERSITY - Vol.25 - pp.171 - ISSN : 1381-1991 - DOI : 10.1007/s11030-020-10037-x - FEB 2021 - English - Article - 2021 - WOS:000616339800014
17 Avc, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - Three novel Cu(II), Cd(II) and Cr(III) complexes of 6-Methylpyridine-2-carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular docking and a-Glucosidase inhibition studies (vol 74, pg 7198, 2018 ) - TETRAHEDRON - Vol.94 - ISSN : 0040-4020 - DOI : 10.1016/j.tet.2021.132352 - AUG 13 2021 - English - Correction - 2021 - WOS:000687139400021
18 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; - Synthesis, DFT calculations and molecular docking study of mixed ligand metal complexes containing 4,4 '-dimethyl-2,2 '-bipyridyl as alpha-glucosidase inhibitors (vol 1205, 127655, 2020) - JOURNAL OF MOLECULAR STRUCTURE - Vol.1246 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2021.131225 - English - Correction - 2021 - WOS:000702854700008
19 Alturk, S; Avci, D; Kurt, BZ; Tamer, O; Basoglu, A; Sonmez, F; Atalay, Y; Dege, N; - Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, alpha-Glucosidase Inhibition and TD/DFT Study (vol 29, pg 1265, 2019) - JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS - ISSN : 1574-1443 - DOI : 10.1007/s10904-021-02071-5 - - English - Early Access - 2021 - WOS:000688382000001
20 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basogulu, A; Atalay, Y; Kurt, BZ; Dege, N; - Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, alpha-glucosidase inhibition, DFT calculations, and molecular docking (vol 1197, pg 645, 2019) - JOURNAL OF MOLECULAR STRUCTURE - Vol.1246 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2021.131223 - English - Correction - 2021 - WOS:000702854700005
21 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - Synthesis, spectral properties, alpha-glucosidase inhibition, second-order and third-order NLO parameters and DFT calculations of Cr(III) and V(IV) complexes of 3-methylpicolinic acid (vol 1220, 128761, 2020) - JOURNAL OF MOLECULAR STRUCTURE - Vol.1246 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2021.131226 - English - Correction - 2021 - WOS:000704356900004
22 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent a-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking (vol 25, pg 171, 2021) - MOLECULAR DIVERSITY - ISSN : 1381-1991 - DOI : 10.1007/s11030-021-10299-z - - English - Early Access - 2021 - WOS:000696746900001
23 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - Synthesis, spectral properties, alpha-glucosidase inhibition, second-order and third-order NLO parameters and DFT calculations of Cr(III) and V(IV) complexes of 3-methylpicolinic acid - JOURNAL OF MOLECULAR STRUCTURE - Vol.1220 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2020.128761 - English - Article - 2020 - WOS:000573567000008
24 Avci, D; Saeedi, Y; Basoglu, A; Dege, N; Alturk, S; Tamer, O; Atalay, Y; - Novel Mn(II) and Zn(II) complexes of 6-bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations - APPLIED ORGANOMETALLIC CHEMISTRY - ISSN : 0268-2605 - DOI : 10.1002/aoc.6125 - - English - Early Access - 2020 - WOS:000600501800001
25 Pekparlak, A; Tamer, O; Kanmazalp, SD; Berber, N; Arslan, M; Avci, D; Dege, N; Tarcan, E; Atalay, Y; - Synthesis, crystal structure, spectroscopic (FT-IR, H-1 and C-13 NMR) and nonlinear optical properties of a novel potential HIV-1 protease inhibitor - CHEMICAL PHYSICS LETTERS - Vol.742 - ISSN : 0009-2614 - DOI : 10.1016/j.cplett.2020.137171 - MAR 2020 - English - Article - 2020 - WOS:000514221000033
26 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; - Synthesis, DFT calculations and molecular docking study of mixed ligand metal complexes containing 4,4 '-dimethyl-2,2 '-bipyridyl as alpha-glucosidase inhibitors - JOURNAL OF MOLECULAR STRUCTURE - Vol.1205 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2019.127655 - English - Article - 2020 - WOS:000511287400075
27 Tamer, O; Avci, D; Dege, N; Atalay, Y; - Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4 '-dimethyl-2,2 '-dipyridyl - JOURNAL OF MOLECULAR STRUCTURE - Vol.1202 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2019.127288 - English - Article - 2020 - WOS:000501486700107
28 Tamer, O; Mahmoody, H; Feyzioglu, KF; Kilinc, O; Avci, D; Orun, O; Dege, N; Atalay, Y; - Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4-methoxy-pyridine-2-carboxylic acid, molecular docking studies and investigation of their anti-tumor effects in vitro - APPLIED ORGANOMETALLIC CHEMISTRY - ISSN : 0268-2605 - DOI : 10.1002/aoc.5416 - English - Early Access - 2019 - WOS:000504006700001
29 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - A novel series of mixed-ligand M(II) complexes containing 2,2 '-bipyridyl as potent alpha-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking - JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY - Vol.24 - pp.747 - ISSN : 0949-8257 - DOI : 10.1007/s00775-019-01688-9 - English - Article - 2019 - WOS:000478906900011
30 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, alpha-glucosidase inhibition, DFT calculations, and molecular docking - JOURNAL OF MOLECULAR STRUCTURE - Vol.1197 - pp.645 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2019.07.039 - English - Article - 2019 - WOS:000487932000067
31 Alturk, S; Avci, D; Kurt, BZ; Tamer, O; Basoglu, A; Sonmez, F; Atalay, Y; Dege, N; - Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, -Glucosidase nhibition and TD/DFT Study - JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS - Vol.29 - pp.1265 - ISSN : 1574-1443 - DOI : 10.1007/s10904-019-01090-7 - English - Article - 2019 - WOS:000471198700022
32 Pekparlak, A; Tamer, O; Kanmazalp, SD; Berber, N; Arslan, M; Avci, D; Dege, N; Tarcan, E; Atalay, Y; - Crystal structure, spectroscopic (FT-IR, H-1 and C-13 NMR) characterization and density functional theory calculations on Ethyl 2-(dichloromethyl)-4-methyl-1-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carboxylate - JOURNAL OF MOLECULAR STRUCTURE - Vol.1171 - pp.762 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2018.06.059 - English - Article - 2018 - WOS:000442193700085
33 Avci, D; Alturk, S; Sonmez, F; Tamer, O; Basoglu, A; Atalay, Y; Kurt, BZ; Dege, N; - Three novel Cu(II), Cd(II) and Cr(III) complexes of 6-Methylpyridine-2-carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular docking and alpha-Glucosidase inhibition studies - TETRAHEDRON - Vol.74 - pp.7198 - ISSN : 0040-4020 - DOI : 10.1016/j.tet.2018.10.054 - English - Article - 2018 - WOS:000452578000014
34 Avci, D; Tamer, O; Basoglu, A; Atalay, Y; - 5-Methyl-2-thiophenecarboxaldehyde: Experimental and TD/DFT study - JOURNAL OF MOLECULAR STRUCTURE - Vol.1174 - pp.52 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2018.07.042 - English - Article; Proceedings Paper - 2018 - WOS:000449132500009
35 Tamer, O; Tamer, SA; Idil, O; Avci, D; Vural, H; Atalay, Y; - Antimicrobial activities, DNA interactions, spectroscopic (FT-IR and UV-Vis) characterizations, and DFT calculations for pyridine-2-carboxylic acid and its derivates - JOURNAL OF MOLECULAR STRUCTURE - Vol.1152 - pp.399 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2017.09.100 - English - Article - 2018 - WOS:000415774400044
36 Alturk, S; Avci, D; Tamer, O; Atalay, Y; - 1H-pyrazole-3-carboxylic acid: Experimental and computational study - JOURNAL OF MOLECULAR STRUCTURE - Vol.1164 - pp.28 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2018.03.032 - English - Article - 2018 - WOS:000431470400004
37 Toubal, K; Boukabcha, N; Tamer, O; Benhalima, N; Alturk, S; Avci, D; Chouaih, A; Atalay, Y; Djafri, A; Hamzaoui, F; - Spectroscopic (FT-IR,H-1 and C-13 NMR) characterization and density functional theory calculations for (Z)-5-(4-nitrobenzyliden)-3-N(2-ethoxyphenyl)-2-thioxo-thiazolidin-4-one (ARNO) - JOURNAL OF MOLECULAR STRUCTURE - Vol.1147 - pp.569 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2017.06.102 - English - Article - 2017 - WOS:000408299900063
38 Tamer, O; Bhatti, MH; Yunus, U; Nadeem, M; Avci, D; Atalay, Y; Yaqub, A; Quershi, R; - Structure-property relationship of 3-(N-phthalimidomethyl)-4-amino-1,2,4-triazole-5-thione: A structural, spectroscopic and DFT study - JOURNAL OF MOLECULAR STRUCTURE - Vol.1133 - pp.329 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2016.12.017 - English - Article - 2017 - WOS:000393931900035
39 Tamer, O; Avci, D; Atalay, Y; - A novel Cu(II) Complex of Picolinate and 1,10-Phenanthroline: Preparation, Crystal Structure Determination, Spectroscopic Characterization and Nonlinear Optical Studies - JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS - Vol.27 - pp.700 - ISSN : 1574-1443 - DOI : 10.1007/s10904-017-0513-0 - English - Article - 2017 - WOS:000399300500011
40 Avci, D; Alturk, S; Tamer, O; Kusbazoglu, M; Atalay, Y; - Solvent effect in implicit/explicit model on FT-IR, H-1, C-13 and F-19 NMR, UV-vis and fluorescence spectra, linear, second- and third-nonlinear optical parameters of 2-(trifluoromethyl)benzoic acid: Experimental and computational study - JOURNAL OF MOLECULAR STRUCTURE - Vol.1143 - pp.116 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2017.04.080 - English - Article - 2017 - WOS:000403122700013
41 Tamer, O; Avci, D; Atalay, Y; - Synthesis, X-Ray crystal structure, photophysical characterization and nonlinear optical properties of the unique manganese complex with picolinate and 1,10 phenantroline: toward the designing of new high NLO response crystal - JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS - Vol.99 - pp.124 - ISSN : 0022-3697 - DOI : 10.1016/j.jpcs.2016.08.013 - English - Article - 2016 - WOS:000385601100018
42 Tamer, O; Bhatti, MH; Yunus, U; Avci, D; Atalay, Y; Nadeem, M; Shah, SR; Helliwell, M; - Structural, spectroscopic, nonlinear optical and electronic properties of calcium N-phthaloylglycinate: A combined experimental and theoretical study - JOURNAL OF MOLECULAR STRUCTURE - Vol.1125 - pp.315 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2016.06.084 - English - Article - 2016 - WOS:000384785100034
43 Gunay, N; Tamer, O; Kuzalic, D; Avci, D; Atalay, Y; - Synthesis, spectroscopic characterization and DFT calculations on N-(Phenylsulfonyl)-L-asparagine (NPLAS): A potential nonlinear optical material - OPTIK - Vol.127 - pp.8782 - ISSN : 0030-4026 - DOI : 10.1016/j.ijleo.2016.06.087 - English - Article - 2016 - WOS:000389102500077
44 Tamer, O; Arslan, BS; Avci, D; Nebioglu, M; Atalay, Y; Cosut, B; - Synthesis, molecular structure, spectral analysis and nonlinear optical studies on 4-(4-bromophenyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-amine: A combined experimental and DFT approach - JOURNAL OF MOLECULAR STRUCTURE - Vol.1106 - pp.89 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2015.10.084 - English - Article - 2016 - WOS:000367482700013
45 Tamer, O; Avci, D; Atalay, Y; Cosut, B; Zorlu, Y; Erkovan, M; Yerli, Y; - Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of manganese (II) complex of picolinate: A combined experimental and computational study - JOURNAL OF MOLECULAR STRUCTURE - Vol.1106 - pp.98 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2015.10.077 - English - Article - 2016 - WOS:000367482700014
46 Alturk, S; Avci, D; Tamer, O; Atalay, Y; Sahin, O; - A cobalt (II) complex with 6-methylpicolinate: Synthesis, characterization, second- and third-order nonlinear optical properties, and DFT calculations - JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS - Vol.98 - pp.71 - ISSN : 0022-3697 - DOI : 10.1016/j.jpcs.2016.06.008 - English - Article - 2016 - WOS:000383297100011
47 Tamer, O; Avci, D; Atalay, Y; Cosut, B; Zorlu, Y; Erkovan, M; Yerli, Y; - Synthesis, X-ray structure, spectroscopic characterization and nonlinear optical properties of triaqua(1,10-phenanthroline-2,9-dicarboxylato)manganese(II) dihydrate: A combined experimental and theoretical study - JOURNAL OF MOLECULAR STRUCTURE - Vol.1100 - pp.605 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2015.07.043 - English - Article - 2015 - WOS:000365361600071
48 Tamer, O; Avci, D; Atalay, Y; - Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of Co(II)- picolinate complex - MATERIALS CHEMISTRY AND PHYSICS - Vol.168 - pp.138 - ISSN : 0254-0584 - DOI : 10.1016/j.matchemphys.2015.11.013 - English - Article - 2015 - WOS:000367493000021
49 Tamer, O; Avci, D; Atalay, Y; - Synthesis, X-ray structure, spectroscopic characterization and nonlinear optical properties of Nickel (II) complex with picolinate: A combined experimental and theoretical study - JOURNAL OF MOLECULAR STRUCTURE - Vol.1098 - pp.12 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2015.05.035 - English - Article - 2015 - WOS:000360870100002
50 Tamer, O; Dege, N; Demirtas, G; Avci, D; Atalay, Y; Macit, M; Sahin, S - Crystal structure and spectroscopic characterization of (E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol: A combined experimental and computational study - JOURNAL OF MOLECULAR STRUCTURE - Vol.1063 - pp.295 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2014.01.079 - English - Article - 2014 - WOS:000334082100036
51 Pir, H; Gunay, N; Avci, D; Tamer, O; Tarcan, E; Atalay, Y - Theoretical Investigation of 6-(3,3,4,4,4-Pentafluoro-2-Hydroxy-1-Butenyl)-2,4-Dimethoxy-Pyrimidine Molecule - ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING - Vol.39 - pp.5799 - ISSN : 2193-567X - DOI : 10.1007/s13369-014-1131-6 - English - Article - 2014 - WOS:000339807100048
52 Pekparlak, A; Avci, D; Atalay, Y; Esmer, K; - Theoretical Studies of Molecular Structure and Vibrational Spectra of Melaminium Salt: 2,4,6-Triamino-1,3,5-triazin-1,3-ium Tartrate Monohydrate - ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING - Vol.37 - pp.171 - ISSN : 1319-8025 - DOI : 10.1007/s13369-011-0151-8 - JAN - English - Article - 2012 - WOS:000299089100015
53 Avci, D; Basoglu, A; Atalay, Y - Effects of Different Basis Sets and Donor-Acceptor Groups on Linear and Second-Order Nonlinear Optical Properties and Molecular Frontier Orbital Energies - INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY - Vol.111 - pp.130 - ISSN : 0020-7608 - DOI : 10.1002/qua.22416 - English - Article - 2011 - WOS:000284215500013
54 Avci, D; Atalay, Y; Comert, H; Dincer, M - DFT Calculations on the Molecular Structure, Vibrational and Chemical Shift Assignments of 4-Allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2, 4-Dihydro-3H-1,2,4-Triazole-3-Thione - ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING - Vol.36 - pp.607 - ISSN : 2193-567X - DOI : 10.1007/s13369-011-0059-3 - JUL - English - Article - 2011 - WOS:000294498400010
55 Avci, D; Comert, H; Tarcan, E; Dincer, M; Atalay, Y; - Molecular structure and vibrational and chemical shift assignments of 3,5-bis-(4-methylbenzoyl)-2,6-bis(4-methylphenyl)-4H-pyran-4-one: A combined experimental and theoretical analysis - JOURNAL OF MOLECULAR STRUCTURE - Vol.975 - pp.234 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2010.04.029 - English - Article - 2010 - WOS:000280028600036
56 Pekparlak, A; Avci, D; Atalay, Y; Celik, T; - A THEORETICAL STUDY ON A CHIRAL COORDINATION OF SILVER(I) WITH SACCHARINATE AND PYRIDINE [Ag(sac)(py)] - ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING - Vol.35 - pp.227 - ISSN : 1319-8025 - JUL - English - Article - 2010 - WOS:000282439500017
57 Tarcan, E; Pekparlak, A; Avci, D; Atalay, Y; - THEORETICAL STUDIES OF MOLECULAR STRUCTURE AND VIBRATIONAL SPECTRA OF THE ASYMMETRIC SQUARAINE [(2-DIMETHYLAMINO-4-ANILINO)SQUARAINE] - ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING - Vol.34 - pp.55 - ISSN : 2193-567X - JUL - English - Article - 2009 - WOS:000272538000006
58 Avci, D; Atalay, Y; - Theoretical Analysis of Vibrational Spectra and Scaling-Factor of 2-Aryl-1,3,4-Oxadiazole Derivatives - INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY - Vol.109 - pp.328 - ISSN : 0020-7608 - DOI : 10.1002/qua.21789 - English - Article - 2009 - WOS:000261819900023
59 Atalay, Y; Avci, D; Basoglu, A; - Theoretical studies of molecular structure and vibrational spectra of glutaconic acid - JOURNAL OF MOLECULAR STRUCTURE - Vol.787 - pp.90 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2005.11.001 - English - Article - 2006 - WOS:000237941100012
1.1 C-SCI, SCI-E, SSCI VEYA AHCI KAPSAMINDAKİ DERGİLERDE YAYIMLANMIŞ MAKALE (Q3 OLARAK TARANAN DERGİDE) :
1 Avci, D; Özge, Ö; Sönmez, F; Tamer, Ö; Basoglu, A; Atalay, Y; Kurt, BZ; - In vitro α-glucosidase, docking and density functional theory studies on novel azide metal complexes - FUTURE MEDICINAL CHEMISTRY - Vol.0 - ISSN : 1756-8919 - DOI : 10.1080/17568919.2024.2342650 - MAY 20 - English - Article - 2024 - WOS:001228420200001
2 Boudjenane, FZ; Benyahlou, ZD; Belhachemi, MHM; Boukabcha, N; Tamer, Ö; Yahiaoui, S; Atalay, Y; Tarcan, E; Chouaih, A; - A theoretical investigation on hirshfeld surface, IR., UV-Vis, 1H and 13C NMR spectra, nonlinear optical properties, and in silico molecular docking of an organometallic compound: Dibromobis(L-proline)zinc(II) - COMPUTATIONAL AND THEORETICAL CHEMISTRY - Vol.1229 - ISSN : 2210-271X - DOI : 10.1016/j.comptc.2023.114345 - NOV - English - Article - 2023 - WOS:001091003600001
3 Khireddine, A; Boukelkoul, M; Atalay, Y; Tamer, O; Avci, D; Merzoud, L; Chermette, H; - Structural, Electronic, Thermodynamic, Optical and Nonlinear Optical Properties of Curcumin Complexes with Transition Metals: DFT and TD-DFT Study - CHEMISTRYSELECT - Vol.7 - ISSN : 2365-6549 - DOI : 10.1002/slct.202104442 - APR 12 2022 - English - Article - 2022 - WOS:000780393400001
4 Günay, N; Tamer, Ö; Avci, D; Tarcan, E; Atalay, Y; - Molecular modelling, spectroscopic characterization and nonlinear optical analysis on N-Acetyl-DL-methionine - REVISTA MEXICANA DE FISICA - Vol.66 - pp.749 - ISSN : 0035-001X - DOI : 10.31349/RevMexFis.66.749 - NOV-DEC - English - Article - 2020 - WOS:000588312000004
5 Boukabcha, N; Djafri, AA; Megrouss, Y; Tamer, O; Avci, D; Tuna, M; Dege, N; Chouaih, A; Atalay, Y; Djafri, A; Hamzaoui, E; - Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N '-(2,4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide - JOURNAL OF MOLECULAR STRUCTURE - Vol.1194 - pp.112 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2019.05.074 - English - Article - 2019 - WOS:000471778600014
6 Arioglu, C; Tamer, O; Avci, D; Atalay, Y; - Optimized geometry, spectroscopic characterization and nonlinear optical properties of carbazole picrate: a density functional theory study - INDIAN JOURNAL OF PHYSICS - Vol.92 - pp.1613 - ISSN : 0973-1458 - DOI : 10.1007/s12648-018-1258-5 - English - Article - 2018 - WOS:000450799900013
7 Okur, M; Albayrak, N; Tamer, O; Avci, D; Atalay, Y; - A Theoretical Study on N '-[(Z)-(4-Methylphenyl)Methylidene]-4-Nitrobenzohydrazide (NMPMN) - BRAZILIAN JOURNAL OF PHYSICS - Vol.48 - pp.398 - ISSN : 0103-9733 - DOI : 10.1007/s13538-018-0573-9 - English - Article - 2018 - WOS:000436307000010
8 Alturk, S; Avci, D; Tamer, O; Atalay, Y; - Comparison of different hybrid DFT methods on structural, spectroscopic, electronic and NLO parameters for a potential NLO material - COMPUTATIONAL AND THEORETICAL CHEMISTRY - Vol.1100 - pp.34 - ISSN : 2210-271X - DOI : 10.1016/j.comptc.2016.12.007 - English - Article - 2017 - WOS:000393008700005
9 Alturk, S; Boukabcha, N; Benhalima, N; Tamer, O; Chouaih, A; Avci, D; Atalay, Y; Hamzaoui, F; - Conformational, spectroscopic and nonlinear optical investigations on 1-(4-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one: a DFT study - INDIAN JOURNAL OF PHYSICS - Vol.91 - pp.501 - ISSN : 0973-1458 - DOI : 10.1007/s12648-016-0945-3 - English - Article - 2017 - WOS:000404533600004
10 Thirunarayanan, S; Arjunan, V; Marchewka, MK; Mohan, S; Atalay, Y; - Characterisation of 1,3-diammonium propylselenate monohydrate by XRD, FT-IR, FT-Raman, DSC and DFT studies - JOURNAL OF MOLECULAR STRUCTURE - Vol.1107 - pp.220 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2015.11.052 - English - Article - 2016 - WOS:000368954200028
11 Benhalima, N; Boukabcha, N; Tamer, O; Chouaih, A; Avci, D; Atalay, Y; Hamzaoui, F; - Solvent Effects on Molecular Structure, Vibrational Frequencies, and NLO Properties of N-(2,3-Dichlorophenyl)-2-Nitrobenzene-Sulfonamide: a Density Functional Theory Study - BRAZILIAN JOURNAL OF PHYSICS - Vol.46 - pp.371 - ISSN : 0103-9733 - DOI : 10.1007/s13538-016-0419-2 - English - Article - 2016 - WOS:000379687800001
12 Gumus, HP; Tamer, O; Avci, D; Atalay, Y; Tarcan, E; - A Theoretical Study on Structural, Spectroscopic, Electronic and Nonlinear Optical Properties of 1-[(E)-{[4-(Morpholin-4-Yl)Phenyl]Imino}Methyl]Naphthalen-2-Ol - BRAZILIAN JOURNAL OF PHYSICS - Vol.46 - pp.471 - ISSN : 0103-9733 - DOI : 10.1007/s13538-016-0432-5 - English - Article - 2016 - WOS:000382277700001
13 Gumus, HP; Tamer, O; Avci, D; Atalay, Y; - Density functional theory calculations on conformational, spectroscopic and electrical properties of 3-(2,3-dimethoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one: a potential nonlinear optical material - INDIAN JOURNAL OF PHYSICS - Vol.90 - pp.79 - ISSN : 0973-1458 - DOI : 10.1007/s12648-015-0730-8 - English - Article - 2016 - WOS:000374681400011
14 Tamer, O; Avci, D; Arioglu, C; Basoslu, A; Atalay, Y; - A theoretical study on structural, spectroscopic, electronic and electric properties of 4-chloro 4-nitrostilbene - INDIAN JOURNAL OF PHYSICS - Vol.89 - pp.1 - ISSN : 0973-1458 - DOI : 10.1007/s12648-014-0510-x - English - Article - 2015 - WOS:000351564500001
15 Alturk, S; Tamer, O; Avci, D; Atalay, Y; - Synthesis, spectroscopic characterization, second and third-order nonlinear optical properties, and DFT calculations of a novel Mn(II) complex - JOURNAL OF ORGANOMETALLIC CHEMISTRY - Vol.797 - pp.110 - ISSN : 0022-328X - DOI : 10.1016/j.jorganchem.2015.08.014 - English - Article - 2015 - WOS:000362379100016
16 Gunay, N; Pir, H; Avci, D; Atalay, Y - NLO and NBO Analysis of Sarcosine-Maleic Acid by Using HF and B3LYP Calculations - JOURNAL OF CHEMISTRY - Vol.2013 - ISSN : 2090-9063 - DOI : 10.1155/2013/712130 - 2013
17 Gunay, N; Pir, H; Avci, D; Atalay, Y; - NLO and NBO Analysis of Sarcosine-Maleic Acid by Using HF and B3LYP Calculations - JOURNAL OF CHEMISTRY - ISSN : 2090-9063 - DOI : 10.1155/2013/712130 - English - Article - 2013 - WOS:000310899500001
18 Nixha, AR; Arslan, M; Atalay, Y; Gencer, N; Ergun, A; Arslan, O; - Synthesis and theoretical calculations of carbazole substituted chalcone urea derivatives and studies their polyphenol oxidase enzyme activity - JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY - Vol.28 - pp.808 - ISSN : 1475-6366 - DOI : 10.3109/14756366.2012.688040 - AUG - English - Article - 2013 - WOS:000321693400021
19 Tamer, O; Yusuf, DA; Atalay, Y; - SPECTROSCOPIC STUDY, NLO PROPERTIES AND HOMO-LUMO ANALYSIS ON DIFFERENT DONOR AND ACCEPTOR SUBSTITUENTS OF THIAZOLYLAZOPYRIMIDINE CHROMOPHORES - JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY - Vol.12 - ISSN : 0219-6336 - DOI : 10.1142/S0219633613500399 - AUG - English - Article - 2013 - WOS:000322908000010
20 ÖMER TAMER, DAVUT AVCI, YUSUF ATALAY - SPECTROSCOPIC STUDY, NLO PROPERTIES AND HOMO{ LUMO ANALYSIS ON DIFFERENT DONOR AND ACCEPTOR SUBSTITUENTS OF THIAZOLYLAZOPYRIMIDINE CHROMOPHORES - Journal of Theoretical and Computational Chemistry - Vol.12 - DOI : 10.1142/S0219633613500399 - 2013
21 Pir, H; Gunay, N; Avci, D; Atalay, Y - Quantum chemical computational studies on bisthiourea zinc chloride - INDIAN JOURNAL OF PHYSICS - Vol.86 - pp.1049 - DOI : 10.1007/s12648-012-0171-6 - DEC - 2012
22 Pir, H; Gunay, N; Avci, D; Atalay, Y; - Quantum chemical computational studies on bisthiourea zinc chloride - INDIAN JOURNAL OF PHYSICS - Vol.86 - pp.1049 - ISSN : 0973-1458 - DOI : 10.1007/s12648-012-0171-6 - DEC - English - Article - 2012 - WOS:000311514300002
23 Avci, D; Basoglu, A; Atalay, Y; - Ab initio HF and DFT calculations on an organic non-linear optical material - STRUCTURAL CHEMISTRY - Vol.21 - pp.213 - ISSN : 1040-0400 - DOI : 10.1007/s11224-009-9566-1 - English - Article - 2010 - WOS:000274326400026
24 Guner, S; Atalay, Y; Dolma, A; - Experimental and theoretical study of 4-cyanobenzaldehyde isonicotinoyl-hydrazone monohydrate - JOURNAL OF MOLECULAR STRUCTURE - Vol.984 - pp.389 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2010.10.011 - DEC 15 - English - Article - 2010 - WOS:000285659400055
25 Günay, N.; Tarcan, E.; Avci, D.; Esmer, K.; Atalay, Y. - Molecular structure, vibrational spectra and chemical shift properties of C12H9ClO4 and C12H9BrO4 crystals by density functional theory and ab initio hartree-fock calculations - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences - Vol.64 - pp.745 - ISSN : 09320784 - Article - 2009 - SCOPUS_ID:73049108907
26 Gunay, N; Tarcan, E; Avci, D; Esmer, K; Atalay, Y; - Molecular Structure, Vibrational Spectra and Chemical Shift Properties of C12H9ClO4 and C2H9BrO4 Crystals by Density Functional Theory and ab initio Hartree-Fock Calculations - ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES - Vol.64 - pp.745 - ISSN : 0932-0784 - English - Article - 2009 - WOS:000273365400011
27 Avci, D; Atalay, Y; - Effects of different GIAO and CSGT models and basis sets on 2-aryl-1,3,4-oxadiazole derivatives - STRUCTURAL CHEMISTRY - Vol.20 - pp.185 - ISSN : 1040-0400 - DOI : 10.1007/s11224-008-9400-1 - English - Article - 2009 - WOS:000264880400005
28 Dincer, M; Avci, D; Sekerci, M; Atalay, Y; - Molecular structure and vibrational and chemical shift assignments of 5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione by DFT and ab initio HF calculations - JOURNAL OF MOLECULAR MODELING - Vol.14 - pp.823 - ISSN : 1610-2940 - DOI : 10.1007/s00894-008-0324-x - English - Article - 2008 - WOS:000257945900006
29 Avci, D; Basoglu, A; Atalay, Y; - Density Functional Theory and ab initio Hartree-Fock Calculations of Molecular Structure and Vibrational Spectra of Anilinium Nitrate - ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES - Vol.63 - pp.712 - ISSN : 0932-0784 - English - Article - 2008 - WOS:000262357400015
30 Atalay, Y; Basoglu, A; Avci, D; Arslan, M; Ozturk, T; Ertas, E; - Determination and analysis of the dispersive optical constants of the 5,5',6,6'-tetraphenyl-2,2'-bi([1,3]dithiolo[4,5-b][1,4]dithiinylidene)-DDQ complex thin film - PHYSICA B-CONDENSED MATTER - Vol.403 - pp.1983 - ISSN : 0921-4526 - DOI : 10.1016/j.physb.2007.11.002 - JUN 1 - English - Article - 2008 - WOS:000256164800003
31 Atalay, Y; Avci, D; - GIAO calculations of chemical shifts in ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate - SPECTROSCOPY LETTERS - Vol.41 - pp.116 - ISSN : 0038-7010 - DOI : 10.1080/00387010701799720 - English - Article - 2008 - WOS:000257291100003
32 Atalay, Y; Avci, D; Basoglu, A; - Linear and non-linear optical properties of some donor-acceptor oxadiazoles by ab initio Hartree-Fock calculations - STRUCTURAL CHEMISTRY - Vol.19 - pp.239 - ISSN : 1040-0400 - DOI : 10.1007/s11224-007-9278-3 - English - Article - 2008 - WOS:000257319400010
33 Avci, D; Comert, H; Atalay, Y; - Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores - JOURNAL OF MOLECULAR MODELING - Vol.14 - pp.161 - ISSN : 1610-2940 - DOI : 10.1007/s00894-007-0258-8 - English - Article - 2008 - WOS:000252223800008
34 Yildiz, SZ; Cevik, U; Atalay, Y; - (E, E)S, S '-bis(2-benzimidazolylmethyl) dithioglyoxime, synthesis and characterization of heterotrinuclear complexes of and determination of their metal contents by EDXRF analysis - JOURNAL OF ORGANOMETALLIC CHEMISTRY - Vol.693 - pp.189 - ISSN : 0022-328X - DOI : 10.1016/j.jorganchem.2007.10.019 - JAN 15 - English - Article - 2008 - WOS:000252686800002
35 Atalay, Y; Sancak, K; Avci, D; - Computational note on theoretical studies of ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate - JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM - Vol.774 - pp.33 - ISSN : 0166-1280 - DOI : 10.1016/j.theochem.2006.07.008 - English - Article - 2006 - WOS:000242206600007
36 Atalay, Y; Avci, D; - Computational note on theoretical studies of molecular structure and vibrational spectra of 4,8-bis(2-hydroxybenzyl)-cis-octahydro [1,4]-oxazino [3,2-b]-1,4-oxazine - JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM - Vol.770 - pp.57 - ISSN : 0166-1280 - DOI : 10.1016/j.theochem.2006.04.048 - English - Article - 2006 - WOS:000241243900008
37 Yakuphanoglu, F; Atalay, Y; Sekerci, M; - Determination of the optical constants of 2-amino-5-phenyl-1,3,4-thiadiazole by Hartree-Fock and density functional method (B3LYP) - JOURNAL OF MOLECULAR STRUCTURE - Vol.779 - pp.72 - ISSN : 0022-2860 - DOI : 10.1016/j.molstruc.2005.07.026 - NOV 25 - English - Article - 2005 - WOS:000233801900012
38 Atalay, Y; Avci, D; Basoglu, A; Okur, I; - Molecular structure and vibrational spectra of melamine diborate by density functional theory and ab initio Hartree-Fock calculations - JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM - Vol.713 - pp.21 - ISSN : 0166-1280 - DOI : 10.1016/j.theochem.2004.09.044 - English - Article - 2005 - WOS:000226345100004
39 Atalay, Y; Avci, D; Basoglu, A; Ozturk, A; - Molecular structure and vibrational spectra of N-mesylhydroxylamin and N-mesyl-0-methylhydroxylamin by density functional theory and ab initio Hartree-Fock calculations - JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM - Vol.730 - pp.105 - ISSN : 0166-1280 - DOI : 10.1016/j.theochem.2005.02.080 - English - Article - 2005 - WOS:000232320900012
40 Atalay, Y; Okur, I; Demir, Z; - An infrared spectroscopic study on a divalent metal salt of p-aminobenzoic acid [ABA(Mg)] tetracyanonickelate - SPECTROSCOPY LETTERS - Vol.35 - pp.119 - ISSN : 0038-7010 - English - Article - 2002 - WOS:000174236000011
41 Tirasoglu, E; Cevik, U; Ertugral, B; Atalay, Y; Kopya, AI; - Measurements of L-l, L-alpha, L-eta, L-beta and L-gamma X-ray fluorescence cross-sections in 70 <= Z <= 92 elements excited by 59.543 keV photons - RADIATION PHYSICS AND CHEMISTRY - Vol.60 - pp.11 - ISSN : 0969-806X - JAN - English - Article - 2001 - WOS:000166668500004
1.1 D-SCI, SCI-E, SSCI VEYA AHCI KAPSAMINDAKİ DERGİLERDE YAYIMLANMIŞ MAKALE (Q4 OLARAK TARANAN DERGİDE) :
1 Unal, A; Okur, M; Atalay, Y; - Structural, Spectroscopic, Electronic Analysis with Nonlinear Optical Activity of L-Methionine L-Methioninium Hydrogen Maleate: A DFT Study - OPTICS AND SPECTROSCOPY - Vol.128 - pp.582 - ISSN : 0030-400X - DOI : 10.1134/S0030400X20050173 - MAY 2020 - English - Article - 2020 - WOS:000540271800003
2 Tamer, O; Atalay, AS; Avci, D; Atalay, Y; Tarcan, E; Marchewka, MK; - Optimized geometry, vibration (IR and Raman) spectra and nonlinear optical activity of p-nitroanilinium perchlorate molecule: A theoretical study - MATERIALS SCIENCE-POLAND - Vol.34 - pp.192 - ISSN : 2083-134X - DOI : 10.1515/msp-2016-0002 - English - Article - 2016 - WOS:000375745600027
3 Sen, P; Yildiz, SZ; Erdogmus, A; Dege, N; Atalay, Y; - Aldehyde Substituted Phthalocyanines: Synthesis, Characterization and Investigation of Photophysical and Photochemical Properties - JOURNAL OF FLUORESCENCE - Vol.26 - pp.1521 - ISSN : 1053-0509 - DOI : 10.1007/s10895-016-1852-x - English - Article - 2016 - WOS:000381197400040
4 Sen, P; Atmaca, GY; Erdogmus, A; Dege, N; Genc, H; Atalay, Y; Yildiz, SZ; - The Synthesis, Characterization, Crystal Structure and Photophysical Properties of a New Meso-BODIPY Substituted Phthalonitrile - JOURNAL OF FLUORESCENCE - Vol.25 - pp.1225 - ISSN : 1053-0509 - DOI : 10.1007/s10895-015-1609-y - English - Article - 2015 - WOS:000362959200008
5 Avci, D; Bahceli, S; Tamer, O; Atalay, Y; - Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone - CANADIAN JOURNAL OF CHEMISTRY - Vol.93 - pp.1147 - ISSN : 0008-4042 - DOI : 10.1139/cjc-2015-0176 - English - Article - 2015 - WOS:000361832400013
6 Tamer, O; Avci, D; Atalay, Y; - Geometry Optimization, Spectral Analysis, Molecular Electrostatic Potential Surface, and Nonlinear Optical Activity of 4-Methyl Anilinium Phenolsulfonate: a DFT Study - JOURNAL OF APPLIED SPECTROSCOPY - Vol.82 - pp.687 - ISSN : 0021-9037 - DOI : 10.1007/s10812-015-0165-1 - English - Article - 2015 - WOS:000361900800025
7 Gumus, HP; Tamer, O; Avci, D; Atalay, Y; - A theoretical study on 2-chloro-5-(2-hydroxyethyl)-4-methoxy-6-methylpyrimidine by DFT/ab initio calculations - MATERIALS SCIENCE-POLAND - Vol.33 - pp.369 - DOI : 10.1515/msp-2015-0039 - English - Article - 2015 - WOS:000359001500021
8 Gunay, N; Tamer, O; Kuzalic, D; Avci, D; Atalay, Y; - Theoretical Investigation of N-Methyl-N '-(4-nitrobenzylidene) pyrazine-2-carbohydrazide: Conformational Study, NBO Analysis, Molecular Structure and NMR Spectra - ACTA PHYSICA POLONICA A - Vol.127 - pp.701 - ISSN : 0587-4246 - English - Article - 2015 - WOS:000353573400008
9 Tamer, O; Avci, D; Atalay, Y; - Calculations of Electronic Structure and Nonlinear Optical Parameters of 4-Methoxybenzaldehyde-N-Methyl-4-Stilbazolium Tosylate* - JOURNAL OF APPLIED SPECTROSCOPY - Vol.80 - pp.971 - ISSN : 0021-9037 - DOI : 10.1007/s10812-014-9875-z - English - Article - 2014 - WOS:000330996300028
10 Tamer, O; Gozuacik, F; Avci, D; Atalay, Y; - Theoretical analysis on structural, spectroscopic, and electronic properties of some 2-aminobenzimidazole complexes by using PBE1PBE, B3LYP, and HF methods - OPTICS AND SPECTROSCOPY - Vol.116 - pp.12 - ISSN : 0030-400X - DOI : 10.1134/S0030400X14010147 - English - Article - 2014 - WOS:000331085200003
11 Tamer, O; Avci, D; Atalay, Y - Structural and Spectroscopic Characterization of 1-(5-Brornothiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one: An Analysis of Electronic and NLO Properties - ACTA PHYSICA POLONICA A - Vol.126 - pp.679 - ISSN : 0587-4246 - DOI : 10.12693/APhysPolA.126.679 - SEP - English - Article - 2014 - WOS:000342544900007
12 Gumus, HP; Tamer, O; Avci, D; Tarcan, E; Atalay, Y; - Theoretical Investigations on Nonlinear Optical and Spectroscopic Properties of 6-(3,3,4,4,4-Pentafluoro-2-hydroxy-1-butenyl)-2,4-pyrimidinedione: An Efficient NLO Material - RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A - Vol.88 - pp.2348 - ISSN : 0036-0244 - DOI : 10.1134/S0036024414130068 - English - Article - 2014 - WOS:000344877400012
13 Tamer, Ö.; Avci, D.; Atalay, Y. - Calculations of Electronic Structure and Nonlinear Optical Parameters of 4-Methoxybenzaldehyde-N-Methyl-4-Stilbazolium Tosylate* - Journal of Applied Spectroscopy - Vol.80 - pp.971-982 - ISSN : 00219037 - DOI : 10.1007/s10812-014-9875-z - Article - 2014 - SCOPUS_ID:84893765581
14 ÖMER TAMER; - Calculations of Electronic Structure and Nonlinear Optical Parameters of 4-Methoxybenzaldehyde-N-Methyl-4-Stilbazolium Tosylate - Journal of Applied Spectroscopy - Vol.80 - pp.971 - 982 - DOI : 10.1007/s10812-014-9875-z - 2014 - SCOPUS_ID:84893765581
15 Gumus, HP; Tamer, O; Avci, D; Tarcan, E; Atalay, Y - Theoretical Investigations on Nonlinear Optical and Spectroscopic Properties of 6-(3,3,4,4,4-Pentafluoro-2-hydroxy-1-butenyl)-2,4-pyrimidinedione: An Efficient NLO Material - RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A - Vol.88 - pp.2348 - ISSN : 0036-0244 - DOI : 10.1134/S0036024414130068 - DEC - English - Article - 2014 - WOS:000344877400012
16 Tamer, O; Avci, D; Atalay, Y - Calculations of Electronic Structure and Nonlinear Optical Parameters of 4-Methoxybenzaldehyde-N-Methyl-4-Stilbazolium Tosylate* - JOURNAL OF APPLIED SPECTROSCOPY - Vol.80 - pp.971 - ISSN : 0021-9037 - DOI : 10.1007/s10812-014-9875-z - JAN - English - Article - 2014 - WOS:000330996300028
17 Tamer, O; Gozuacik, F; Avci, D; Atalay, Y - Theoretical analysis on structural, spectroscopic, and electronic properties of some 2-aminobenzimidazole complexes by using PBE1PBE, B3LYP, and HF methods - OPTICS AND SPECTROSCOPY - Vol.116 - pp.12 - ISSN : 0030-400X - DOI : 10.1134/S0030400X14010147 - JAN - English - Article - 2014 - WOS:000331085200003
18 Ömer Tamer, Davut Avcı, Yusuf Atalay - Calculations of Electronic Structure and Nonlinear Optical Parameters of 4-Methoxybenzaldehyde-N-Methyl-4-Stilbazolium Tosylate* - JOURNAL OF APPLIED SPECTROSCOPY - Vol.80 - pp.1 - DOI : 10.1007/s10812-014-9875-z - 2013
19 Hacer Pir, Nergin Günay, Ömer Tamer, Davut Avcı, Erdoğan Tarcan, Yusuf Atalay - Quantum chemical computational studies on bis-thiourea zinc acetate - Materials Science-Poland - Vol.31 - pp.357 - DOI : 10.2478/s13536-013-0112-x - 2013
20 Pir, H; Gunay, N; Tamer, O; Avci, D; Tarcan, E; Atalay, Y; - Quantum chemical computational studies on bis-thiourea zinc acetate - MATERIALS SCIENCE-POLAND - Vol.31 - pp.357 - ISSN : 2083-134X - DOI : 10.2478/s13536-013-0112-x - AUG - English - Article - 2013 - WOS:000323676300010
21 Toplan, HO; Okutan, M; Esmer, K; Atalay, Y; Yuruyen, S; Tarcan, E; - Dielectrical Properties of a Novel Porcelain Produced from Natural Clay, Waste Glass and Fly Ash - HIGH TEMPERATURE MATERIALS AND PROCESSES - Vol.28 - pp.55 - ISSN : 0334-6455 - English - Article - 2009 - WOS:000274284300005
22 Gunay, N; Tarcan, E; Avci, D; Comert, H; Esmer, K; Atalay, Y; - Calculated on H-1 and C-13 NMR Chemical Shifts of 2,4-Difluorobenzaldehyde Isonicotinoylhydrazone and 2,3-Dichlorobenzaldehyde Isonicotinoylhydrazone with GIAO, IGAIM, and CSGT Models - CONCEPTS IN MAGNETIC RESONANCE PART A - Vol.34A - pp.297 - ISSN : 1546-6086 - DOI : 10.1002/cmr.a.20146 - SEP - English - Article - 2009 - WOS:000270799500003
23 Tarcan, E; Kadiroglu, U; Atalay, Y; Esmer, K; - Structural and Dielectrical Properties of MnO2-V2O5-SnO Mixed Oxides System at 1023 K - HIGH TEMPERATURE MATERIALS AND PROCESSES - Vol.27 - pp.141 - ISSN : 0334-6455 - English - Article - 2008 - WOS:000262706500002
24 Ucun, F; Atalay, Y; Ilbasmis, T; - Ab initio calculation of the molecular structure and vibration frequencies of carbonate ions coordinated to calcium ions in the zeolite CaA by Hartree-Fock methods - ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES - Vol.60 - pp.608 - ISSN : 0932-0784 - AUG-SEP - English - Article - 2005 - WOS:000232401400007
25 Yakuphanoglu, F; Atalay, Y; Erol, I; - Molecular structure and vibrational spectra of [2-Oxo-2-(4-acetyl) phenyl amino] ethylene methacrylate by density functional theory and ab initio Hartree-Fock calculations - MOLECULAR PHYSICS - Vol.103 - pp.3309 - ISSN : 0026-8976 - DOI : 10.1080/00268970500291795 - DEC 30 - English - Article - 2005 - WOS:000234467600010
1.2-ESCI VE/VEYA SCOPUS KAPSAMINDAKİ DERGİLERDE YAYIMLANMIŞ MAKALE :
1 Baydere, C; Tasci, M; Dege, N; Arslan, M; Atalay, Y; Golenya, IA; - Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one - ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS - Vol.75 - pp.746 - ISSN : 2056-9890 - DOI : 10.1107/S2056989019006182 - English - Article - 2019 - WOS:000477632400009
2 Kansiz, S; Dege, N; Topcu, Y; Atalay, Y; Gaidai, SV; - Crystal structure and Hirshfeld surface analysis of (succinato-kappa O)[N,N,N ',N '-tetrakis(2-hydroxyethyl)ethylenediamine-kappa(5) O,N,N ',O ',O '']nickei(II) tetrahydrate - ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS - Vol.74 - pp.1700 - ISSN : 2056-9890 - DOI : 10.1107/S2056989018015359 - English - Article - 2018 - WOS:000452195500003
1.3-ÜAK VE SAKARYA ÜNİVERSİTESİ SENATOSU TARAFINDAN BELİRLENEN ULUSLARARASI ALAN ENDEKSLERİNDE TARANAN DERGİLERDE YAYIMLANMIŞ VEYA ULAKBİM, TR-DİZİN TARAFINDAN TARANAN ULUSAL HAKEMLİ DERGİLERDE YAYIMLANMIŞ MAKALE :
1 Alturk, S; Avci, D; Tamer, O; Atalay, Y; Akkus, B; Oktem, Y; Dogan, GS; Guzelcimen, F; - AIP Conference Proceedings - PROCEEDINGS OF THE TURKISH PHYSICAL SOCIETY 32ND INTERNATIONAL PHYSICS CONGRESS (TPS32) - ISSN : 0094-243X - DOI : 10.1063/1.4976464 - English - Proceedings Paper - 2017 - WOS:000435205100120
2 Arioglu, C; Tamer, O; Avci, D; Atalay, Y; Akkus, B; Oktem, Y; Dogan, GS; Guzelcimen, F; - AIP Conference Proceedings - PROCEEDINGS OF THE TURKISH PHYSICAL SOCIETY 32ND INTERNATIONAL PHYSICS CONGRESS (TPS32) - ISSN : 0094-243X - DOI : 10.1063/1.4976465 - English - Proceedings Paper - 2017 - WOS:000435205100121
3 Oner, N; Tamer, O; Basoglu, A; Avci, D; Atalay, Y; Akkus, B; Oktem, Y; Dogan, GS; Guzelcimen, F; - AIP Conference Proceedings - PROCEEDINGS OF THE TURKISH PHYSICAL SOCIETY 32ND INTERNATIONAL PHYSICS CONGRESS (TPS32) - ISSN : 0094-243X - DOI : 10.1063/1.4976468 - English - Proceedings Paper - 2017 - WOS:000435205100124
4 Alturk, S; Avci, D; Tamer, O; Atalay, Y; Akkus, B; Oktem, Y; Yalcin, LS; Mutlu, RBC; Dogan, GS; - AIP Conference Proceedings - 9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9) - ISSN : 0094-243X - DOI : 10.1063/1.4944218 - English - Proceedings Paper - 2016 - WOS:000375923300099
5 Alturk, S; Avci, D; Tamer, O; Atalay, Y; Akkus, B; Oktem, Y; Yalcin, LS; Mutlu, RBC; Dogan, GS; - AIP Conference Proceedings - 9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9) - ISSN : 0094-243X - DOI : 10.1063/1.4944219 - English - Proceedings Paper - 2016 - WOS:000375923300100
6 Oner, N; Tamer, O; Avci, D; Atalay, Y; Akkus, B; Oktem, Y; Yalcin, LS; Mutlu, RBC; Dogan, GS; - AIP Conference Proceedings - 9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9) - ISSN : 0094-243X - DOI : 10.1063/1.4944226 - English - Proceedings Paper - 2016 - WOS:000375923300107
7 Arioglu, C; Tamer, O; Basoglu, A; Avci, D; Atalay, Y; Akkus, B; Oktem, Y; Yalcin, LS; Mutlu, RBC; Dogan, GS; - AIP Conference Proceedings - 9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9) - ISSN : 0094-243X - DOI : 10.1063/1.4944220 - English - Proceedings Paper - 2016 - WOS:000375923300101
8 Oner, N; Tamer, O; Avci, D; Atalay, Y; Akkus, B; Oktem, Y; Yalcin, LS; Mutlu, RBC; Dogan, GS; - AIP Conference Proceedings - 9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9) - ISSN : 0094-243X - DOI : 10.1063/1.4944227 - English - Proceedings Paper - 2016 - WOS:000375923300108
9 Sen, P.; Yildiz, S.Z.; Atalay, Y.; Dege, N.; Demirtas, G. - The synthesis, characterization, crystal structure and theoretical calculations of a new meso-BOBIPY substituted phthalonitrile - Journal of Luminescence - Vol.149 - pp.297-305 - ISSN : 00222313 - DOI : 10.1016/j.jlumin.2014.01.051 - Article - 2014 - SCOPUS_ID:84893841833
10 N. Günay, Y. Atalay, E. Tarcan, K. Esmer, H. Cömert - THEORETICAL INVESTIGATION OF THE MOLECULAR STRUCTURE AND NMR SPECTRA OF N-METHYL-1H-INDOLE-2-CARBOXAMIDE - BALKAN PHYSICS LETTERS - Vol.0.2 - pp.68 - ISSN : 201008, - DOI : - 22 February - 2012
11 Atalay Y. Pir H.,Başoğlu A. Günay N. And Avcı D - A theoretıcal study on 5-chloro-8-hydroxyquınolınıum nıtrate - BALKAN PHYSICS LETTERS - Vol.19 - pp.350 - ISSN : 191041 - DOI : BPL, 19, 191041, - 01 August - 2011
12 Hacer Pir, Nergin Günay, Kadir Esmer, Erdoğan Tarcan, Yusuf Atalay - A THEORETICAL STUDY ON 5-(4-CHLOROPHENYL)-1H-TETRAZOLE - BALKAN PHYSICS LETTERS - Vol.19 - pp.341 - ISSN : Bogazici University Press - DOI : BPL,191040 - August - 2011
13 N. Günay, Y. Atalay, E. Tarcan, K. Esmer, H. Cömert - THEORETICAL INVESTIGATION OF THE MOLECULAR STRUCTURE AND NMR SPECTRA OF N-METHYL-1H-INDOLE-2-CARBOXAMIDE - BALKAN PHYSICS LETTERS - pp.369 - ISSN : BPL, 19, 191043 - 01 August - 2011
14 N. Günay, Y. Atalay, E. Tarcan, D. Avcı, K. Esmer - Molecular structure and chemical shift assignments of Pyrrole-2-carbaldehyde isonicotinolyl-hydrazone monohydrate (C11H10N4O.H2O) by DFT and ab initio HF calculations - Balkan Physics Letters, Balkan Physics Letters - Vol.0.151 - ISSN : 151035 - 2009
15 H. Cömert , D. Avcı, N. Günay ,Y. Atalay - Vibrational and chemical shift assignments of 1-Bromo2,6-dihydroxybenzene (C6H5BrO2) by DFT and ab initio HF calculation - Balkan Physics Letters - Vol.0.151 - ISSN : 151021 - 2009
16 E. Tarcan , N. Günay, D. Avcı, Y. Atalay, K. Esmer - Molecular structure and chemical shift assignments of 4-(2-Methoxy-4-methylphenoxy)phthalonitrile (C16H12N2O2) by DFT and ab initio HF calculations - Balkan Physics Letters - Vol.0.151 - ISSN : 151011 - 2009
17 Y. Atalay, A. Pekparlak, H. Cömert, D. Avcı - Molecular structure and vibrational assignments of 2-Amino-3 Hydroxy-4-Phenylthiazolium chloride by DFT and ab initio HF calculations - Balkan Physics Letters - Vol.0.151 - ISSN : 151054 - 2009
1.4-DİĞER ULUSLARARASI HAKEMLİ DERGİLERDE YAYIMLANMIŞ BİLİMSEL/SANATSAL MAKALE :
1 Hacer Pir Gümüş, Ömer Tamer, Davut Avcı, Yusuf Atalay - 4-(Metoksimetil)-1,6-dimetil-2-okso-1,2-dihidropiridin-3-karbonitril molekülünün teorik olarak incelenmesi - Sakarya University Journal of Science - Vol.19 - pp.303-311 - 2015
2 A. Pekparlak, A. Başoğlu, Ö. Tamer, D. Avcı, M. Dinçer, Y. Atalay - A theoretical study on 4-Benzyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione molecule - Journal of spectroscopy and dynamics - Vol.4 - pp.1-7 - 2014
3 ÇETİN M., BAŞOĞLU A., AVCI D., ATALAY Y. - Ab Inito Calculations on Adipic Acid - SAÜ Fen Bilimleri Enstitüsü Dergisi - Vol.17(3) - pp.357-362 - 2013
4 ALTINKAYNAK,SEVİN;G. AKGÜL;C. KARAKELLEOĞLU;M. KÜRKÇÜOĞLU;M. KÜRKÇÜOĞLU;ATALAY,YUSUF;Ö. ÖRMECİ - RAŞİTİZM VE MALNÜTRÜSYONLU RAŞİTİZM VAKALARININ VİTAMİN D3 İLE TEDAVİSİ - ATATÜRK ÜNİVERSİTESİ TIP BÜLTENİ - pp.1007 - 0 - 1989 - M-SAU-12020
5 ALTINKAYNAK,SEVİN;KILIÇ,HATİCE;C. KARAKELLEOĞLU;M. KÜRKÇÜOĞLU;M. KÜRKÇÜOĞLU;ATALAY,YUSUF - YENİDOĞAN SEPSİSİNDE TANI VE CRP DÜZEYLERİ - ATATÜRK ÜNİVERSİTESİ TIP BÜLTENİ - pp.131 - 0 - 1989 - M-SAU-12023
6 ALTINKAYNAK,SEVİN;KILIÇ,HATİCE;C. KARAKELLEOĞLU;M. KÜRKÇÜOĞLU;M. KÜRKÇÜOĞLU;ATALAY,YUSUF - YENİDOĞAN SEPSİSİNDE ÖN TANI METODLARI - ATATÜRK ÜNİVERSİTESİ TIP BÜLTENİ - pp.485 - 0 - 1988 - M-SAU-12018
7 ALTINKAYNAK,SEVİN;E. KURTOĞLU;ATALAY,YUSUF;M. KÜRKÇÜOĞLU;M. KÜRKÇÜOĞLU - AKUT GASTROENTERİT VE DEHİDRATASYONLU HASTALARDA TEDAVİ SONUÇLARI - ATATÜRK ÜNİVERSİTESİ TIP BÜLTENİ - pp.129 - 0 - 1987 - M-SAU-12010
8 ALTINKAYNAK,SEVİN;E. KURTOĞLU;ATALAY,YUSUF;M. KÜRKÇÜOĞLU;M. KÜRKÇÜOĞLU - AKUT GASTROENTERİT VE DEHİDRATASYONLU ÇOCUKLARDA KLİNİK BULGULAR VE LABORATUVAR SONUÇLARI - ATATÜRK ÜNİVERSİTESİ TIP BÜLTENİ - pp.77 - 0 - 1987 - M-SAU-12011
9 ALTINKAYNAK,SEVİN;ATALAY,YUSUF - MENENJİTLERDE KAN VE BEYİN OMURİLİK SIVISI ELEKTROLİT DEĞİŞİKLİKLERİ - ATATÜRK ÜNİVERSİTESİ TIP BÜLTENİ - pp.1 - 0 - 1987 - M-SAU-12014
10 ALTINKAYNAK,SEVİN;ATALAY,YUSUF;M. KÜRKÇÜOĞLU;C. KARAKELLEOĞLU;C. KARAKELLEOĞLU - PÜRÜLAN MENENJİTLERDE KAN VE BEYİN OMURİLİK SIVISI AMİNOASİT DÜZEYLERİ - ATATÜRK ÜNİVERSİTESİ TIP BÜLTENİ - pp.493 - 0 - 1986 - M-SAU-12007
11 ALTINKAYNAK,SEVİN;ATALAY,YUSUF;C. KARAKELLEOĞLU - BAKTERİYEL MENENJİTLERDE KAN VE BEYİN OMURİLİK SIVISI PROTEİNLERİ VE FRAKSİYONLARI - ATATÜRK ÜNİVERSİTESİ TIP BÜLTENİ - pp.331 - 0 - 1986 - M-SAU-12008
12 ALTINKAYNAK,SEVİN;ATALAY,YUSUF;M. KÜRKÇÜOĞLU;C. KARAKELLEOĞLU;C. KARAKELLEOĞLU - NORMAL ÇOCUKLARDA SERUM VE SEREBROSPİNAL SIVIDA SERBEST AMİNOASİT DEĞERLERİ - ATATÜRK ÜNİVERSİTESİ TIP BÜLTENİ - pp.363 - 0 - 1986 - M-SAU-12009
13 N. GÜNAY, H. PİR ve Y. ATALAY - l-asparaginyum pikrat molekülünün spektroskopik özelliklerinin teorik olarak incelenmesi - SAÜ Fen Edebiyat Dergisi - Vol.1 - 0
7.2-ULUSLARARASI KONGRE VE SEMPOZYUMLARDA SÖZLÜ OLARAK SUNULAN VE TAM METİN OLARAK YAYIMLANAN TEBLİĞ :
1 S. Altürk, D. Avcı, F. Sönmez, Ö. Tamer, A. Başoğlu, Y. Atalay, B. Zengin Kurt - SYNTHESIS, CRYSTAL STRUCTURE, SPECTRAL CHARACTERIZATION, α–GLUCOSIDASE INHIBITION AND TD/DFT STUDY OF THE Cu (II) COMPLEX - 2018
2 S. Altürk, D. Avcı, F. Sönmez, Ö. Tamer, A. Başoğlu, Y. Atalay, B. Zengin Kurt, N. Dege - SYNTHESIS, CRYSTAL STRUCTURE, DFT CALCULATIONS, MOLECULAR DOCKING AND α–GLUCOSIDASE INHIBITION STUDY OF THE Zn (II) COMPLEX - 2018
3 S. Altürk, D. Avcı, F. Sönmez, Ö. Tamer, A. Başoğlu, Y. Atalay, and B. Zengin Kurt - SYNTHESIS, CRYSTAL STRUCTURE, SPECTRAL CHARACTERIZATION, α–GLUCOSIDASE INHIBITION AND TD/DFT STUDY OF THE Cu (II) COMPLEX - 2018
4 Davut Avcı, Adil Başoğlu, Ömer Tamer, Yusuf Atalay - Experimental and DFT/TD-DFT study on 4-(4-Nitrobenzyl)pyridine - 2018
5 Alturk, S; Avci, D; Tamer, O; Atalay, Y; - AIP Conference Proceedings - PROCEEDINGS OF THE TURKISH PHYSICAL SOCIETY 32ND INTERNATIONAL PHYSICS CONGRESS (TPS32) - Vol.1815 - DOI : 10.1063/1.4976464 - English - Proceedings Paper - 2017 - WOS:000435205100120
6 Oner, N; Tamer, O; Basoglu, A; Avci, D; Atalay, Y; - AIP Conference Proceedings - PROCEEDINGS OF THE TURKISH PHYSICAL SOCIETY 32ND INTERNATIONAL PHYSICS CONGRESS (TPS32) - Vol.1815 - ISSN : 0094-243X - DOI : 10.1063/1.4976468 - English - Proceedings Paper - 2017 - WOS:000435205100124
7 Arioglu, C; Tamer, O; Avci, D; Atalay, Y; - AIP Conference Proceedings - PROCEEDINGS OF THE TURKISH PHYSICAL SOCIETY 32ND INTERNATIONAL PHYSICS CONGRESS (TPS32) - Vol.1815 - ISSN : 0094-243X - DOI : 10.1063/1.4976465 - English - Proceedings Paper - 2017 - WOS:000435205100121
8 Oner, N; Tamer, O; Avci, D; Atalay, Y; - AIP Conference Proceedings - 9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9) - Vol.1722 - ISSN : 0094-243X - DOI : 10.1063/1.4944227 - English - Proceedings Paper - 2016 - WOS:000375923300108
9 Arioglu, C; Tamer, O; Basoglu, A; Avci, D; Atalay, Y; - AIP Conference Proceedings - 9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9) - Vol.1722 - ISSN : 0094-243X - DOI : 10.1063/1.4944220 - English - Proceedings Paper - 2016 - WOS:000375923300101
10 Oner, N; Tamer, O; Avci, D; Atalay, Y; - AIP Conference Proceedings - 9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9) - Vol.1722 - ISSN : 0094-243X - DOI : 10.1063/1.4944226 - English - Proceedings Paper - 2016 - WOS:000375923300107
11 Alturk, S; Avci, D; Tamer, O; Atalay, Y; - AIP Conference Proceedings - 9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9) - Vol.1722 - ISSN : 0094-243X - DOI : 10.1063/1.4944219 - English - Proceedings Paper - 2016 - WOS:000375923300100
12 Alturk, S; Avci, D; Tamer, O; Atalay, Y; - AIP Conference Proceedings - 9TH INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION (BPU-9) - Vol.1722 - ISSN : 0094-243X - DOI : 10.1063/1.4944218 - English - Proceedings Paper - 2016 - WOS:000375923300099
13 D. Kuzaliç, M. Çetin, D. Avcı, A. Başoğlu, Y. Atalay - Molecular Structure of 2 (Oxamoylamino) Ethylammonium Oxamate-Oxamic Acid by DFT and Ab Initio HF Calculations - 6-9 Eylül 2011 - 2012
14 Hacer Pir, Nergin Günay, Erdoğan Tarcan and Yusuf Atalay - Theoretical Investigation of Bıs-Thiourea Zinc Acetate (Btza): IR and Raman Spectra, Conformational, Nbo and Nlo Analysis - 5-8 Eylül - 2012
15 Z. Günay, D. Avcı, Y. Atalay - A Theoretical Study on N-(3-tert-Butyl-1-phenyl-1H-pyrazol-5-yl)-N-(4-methoxybenzyl)acetamide (C23H27N3O2) Molecule - 5-8 Eylül - 2012
16 Dilek Kuzaliç, Davut Avcı, Yusuf Atalay and Hüseyin Cömert - A theoretıcal study on 2,4-dımethylbenzaldehyde ısonocotınolyhydrazone trıhydrate - 5-8 Eylül 2012 - 2012
17 Dilek KUZALİÇ, Mustafa ÇETİN, Yusuf ATALAY and Hüseyin CÖMERT - A theorotıcal study on 2-lodo-6-methoxy-4-nıtroanılıne molecule - 5-8 Eylül 2012 - 2012
18 D. Avcı, A. Başoğlu, Y. Atalay - DFT Calculations on Nonlinear Optical and Spectroscopic Properties of Free BzMAG3 and CysM Ligands and in the Au@BzMAG3 and Au@CysM Composites - 8-11 May, 2011 - 2011
19 H. Pir, N. Günay, D. Avcı, Y. Atalay - A quantum chemical studies on the Bisthiourea Zinc Chloride (BTZC) - 18-22 Mayıs 2011 - 2011
20 M. Çetin, D. Kuzaliç, D. Avcı, Y. Atalay - Molecular Structure of L-2-Nitrimino-1,3-Diazepane-4-Carboxylic Acid by DFT and Ab Initio HF Calculations - 6-9 Eylül 2011 - 2011
21 ATALAY,YUSUF - A Theoretical Study on 5-(4-Chlorophenyl)-1H-Tetrazole - 2010 - B-SAU-3630
22 ATALAY,YUSUF - A Theoretical Spectroscopic Study on Ninhydrin Crystal - 2010 - B-SAU-3631
23 ATALAY,YUSUF - A Theoretical Study on 5-Chloro-8-Hydroxyquinolinium Nitrate - 2010 - B-SAU-3632
24 ATALAY,YUSUF - Theoretical Investigation of the Molecular Structure and Nmr Spectra of N-Methyl-1H-Indole-2-Carboxamide - 2010 - B-SAU-3633
25 ATALAY,YUSUF - A theoretical study on organic NLO material - 2008 - B-SAU-3637
26 ATALAY,YUSUF - Molecular structure and vibrational spectra of chiral and racemic 4-phenyl -1,3-oxazolidine-2-thine (4-POT) by density functional theory and ab initio Hartree ? Fock calculations - 2008 - B-SAU-3638
27 Avci, D; Atalay, Y; Basoglu, A; Cetin, SA; - AIP CONFERENCE PROCEEDINGS - pp.555 - ISSN : 0094-243X - English - Proceedings Paper - 2007 - WOS:000246647900269
28 Basoglu, A; Avci, D; Atalay, Y; Cetin, SA; - AIP CONFERENCE PROCEEDINGS - Vol.899 - pp.556 - English - Proceedings Paper - 2007 - WOS:000246647900270
29 Basoglu, A; Avci, D; Atalay, Y; Cetin, SA; - AIP CONFERENCE PROCEEDINGS - Vol.899 - pp.677 - ISSN : 0094-243X - English - Proceedings Paper - 2007 - WOS:000246647900391
30 Başoglu, A.; Avci, D.; Atalay, Y. - Determination of the optical constants of ethene-1,1,2,2- tetrayltetramethylene tetrahiocyanate by hartree-fock and density functional method (B3LYP) - AIP Conference Proceedings - Vol.899 - pp.677 - ISSN : 0094243X - DOI : 10.1063/1.2733418 - Conference Paper - 2007 - SCOPUS_ID:34547477207
31 Avci, D; Atalay, Y; Basoglu, A - A theoretical study on new acridine-benzothiazolylamine chromophores - Six International Conference of the Balkan Physical Union - Vol.899 - pp.555-555 - ISSN : 0094-243X - English - Proceedings Paper - AUG 22-26, 2006 - 2007 - WOS:000246647900269
32 Basoglu, A; Avci, D; Atalay, Y - A theoretical investigation of succinic acid - Six International Conference of the Balkan Physical Union - Vol.899 - pp.556-556 - ISSN : 0094-243X - English - Proceedings Paper - AUG 22-26, 2006 - 2007 - WOS:000246647900270
33 Basoglu, A; Avci, D; Atalay, Y - Determination of the optical constants of ethene-1,1,2,2-tetrayltetram ethylene tetrahiocyanate by Hartree-Fock and density functional method (B3LYP) - Six International Conference of the Balkan Physical Union - Vol.899 - pp.677-677 - ISSN : 0094-243X - English - Proceedings Paper - AUG 22-26, 2006 - 2007 - WOS:000246647900391
34 ATALAY,YUSUF - A theoretical spectroscopic analysis of glutaric acid - 2006 - B-SAU-3644
35 ATALAY,YUSUF - A theoretical study on adipic acid - 2006 - B-SAU-3645
36 ATALAY,YUSUF - Structure and Spectroscopic Parameters of 11-Methyl-2,3-Benzodipyrrin-1-One - 2006 - B-SAU-3625
37 ATALAY,YUSUF - Studies On 2-(Toluene-4-Sulfonylamino)-Benzoic Acid: Structure Spectroscopic Properties - 2006 - B-SAU-3626
38 ATALAY,YUSUF - Theoretical Studies Of Molecular Structure And Vibrational Spectra Of 5-Aminolevulinic Acid?s Hexylester (Ala-H) - 2006 - B-SAU-3627
39 ATALAY,YUSUF - A theoretical investigation of succinic acid - 2006 - B-SAU-3634
40 ATALAY,YUSUF - A theoretical study on new acrıdıne- benzothıazolylamıne chromophores - 2006 - B-SAU-3635
41 ATALAY,YUSUF - Determination of the Optical Constant of ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate by Hartree-Fock and Density Functional Theory (B3LYP) - 2006 - B-SAU-3636
42 ATALAY,YUSUF - A theoretical study on molecular structure and vibrational spectra of anilinium nitrate - 2006 - B-SAU-3646
43 ATALAY,YUSUF - Theoretical Studies of Molecular Structure and Vibrational Spectra of 4-Nitro-2-{E-[2-(Piperidin-1-Yl)Ethy] Iminomethyl}Phenol - 2006 - B-SAU-3628
44 ATALAY,YUSUF - Theoretical Studis Of Molecular Structure And Vibrational Spectra of 5-Aminolevulinic Acid - 2006 - B-SAU-3629
45 Atalay, Y., Başoğlu, A., Avcı, D. ve Yılmaz, İ. - Molecular structure and vibration spectra of anhydrous zinc acetate and anhydrous magnesium acetate by density functional theory and AB initio Hartree-Fock calculations - 2005 - SAU
46 ATALAY,YUSUF - 1-(tiyofen-2-ilmetil)-2-(tiyofen-2-il)-1H-benzimidazol molekülünün yapısal özelliklerinin ve titreşim frekanslarının incelenmesi - 2005 - B-SAU-3647
47 ATALAY,YUSUF - 2-nitro-1-üreidoguanidin molekülünün geometrik yapısının incelenmesi - 2005 - B-SAU-3648
48 ATALAY,YUSUF - 3,5-Difenil-4(3,4,5metoksibenzilidenamino) -4H-1,2,4-ttriazol molekülünün molekül yapısının ve titreşim frekanslarının incelenmesi - 2005 - B-SAU-3649
49 ATALAY,YUSUF - 4,5-bis-(2-isopropyl-5-methylphenoxy) phthalonitrile molekülünün molekül yapısının ve titreşim frekanslarının incelenmesi - 2005 - B-SAU-3650
50 ATALAY,YUSUF - 4-(2-izopropil-5-metilfenoksi) ftalonitril molekülünün molekül yapısının ve titreşim frekanslarının incelenmesi - 2005 - B-SAU-3651
51 ATALAY,YUSUF - ?Spectroscopic and Structual Studies on Some Divalent Metal Salt of P-Aminobenzoic Acid [Aba(Mg)] Tetracyanonickelate Complexes? - 2004 - B-SAU-3639
52 ATALAY,YUSUF - An Infrared Spectroscopic Study on Divalent Metal Salt Of P-Amınobenzoıc Acıd [Aba(Ca)] Tetracyanonıckelate Complexes - 2004 - B-SAU-3640
53 ATALAY,YUSUF - Molecular Structure and Vibration Spectra of Anhyanhydrous Zinc Acetate and Anhydrous Magnesium Acetate by Density Functional Theory and ab Initio Hartree-Fock Calculations - 2004 - B-SAU-3641
54 ATALAY,YUSUF - Spectroscopic and Structual Studies on Some Divalent Metal Salt of P-Aminobenzoic Acid ?Aba(Mg )? Tetracyanonickelate Complexes - 2004 - B-SAU-3642
55 ATALAY,YUSUF - Theoretıcal Spectroscopıc Studıes on A Dıvalent Metal Salt of P ? Amınobenzoıc Acıd Aba(M) By Densıty Functıonal Theory and ab Inıtıo Hartree-Fock Calculatıons - 2004 - B-SAU-3643
56 Yılmaz, İ., Atalay, Y. ve Başoğlu, A. - A theoretical spectroscopic studies on a divalent metal salt of p-aminobenzoi acid ABA(M) by density functional theory and AB initio Hartree-Fock calculations - 2004 - SAU
7.3-ULUSLARARASI KONGRE VE SEMPOZYUMLARDA SÖZLÜ OLARAK SUNULAN VE ÖZET METİN OLARAK YAYIMLANAN TEBLİĞ :
1 Güneş Demirtaş, Ömer Tamer, Necmi Dege, Davut Avcı, Yusuf Atalay, Mustafa Macit, Songül Şahin - THE THEORETICAL AND CRYSTALLOGRAPHIC STUDIES ON (E)-2-(((4-BROMO-2-TRIFLUOROMETHOXY)PHENYL)IMINO)METHYL)-4-NITROPHENOL - 2017
2 Sümeyye Altürk, Davut Avcı, Ömer Tamer, Yusuf Atalay - 1H–PYRAZOLE–3–CARBOXYLIC ACID: EXPERIMENTAL AND COMPUTATIONAL STUDY - 2017
3 S. ALTÜRK, D. AVCI, Ö. TAMER, Y. ATALAY - SPECTROSCOPIC PROPERTIES OF 2– (TRIFLUOROMETHYL)BENZOIC ACID: EXPERIMENTAL AND COMPUTATIONAL STUDY - 2016
4 N. ÖNER, Ö. TAMER, D. AVCI, Y. ATALAY - QUANTUM CHEMICAL CALCULATIONS OF 2-C-[(1R)-AMINOETHYL]-1,4:3,6-DIANHYDROMANNITOL: A DETAILED VIBRATIONAL ASSIGNMENT - 2014
5 Ç. ARIOĞLU, Ö. TAMER, D. AVCI, A. BAŞOĞLU, Y. ATALAY - A THEORETICAL STUDY ON; 4-(METHOXYMETHYL)-1,6-DIMETHYL-2-OXO-1,2- DIHYDROPYRIDINE-3-CARBONITRILE MOLECULE - 2014
7.4-ULUSLARARASI KONGRE VE SEMPOZYUMLARDA POSTER OLARAK SUNULAN VE YAYIMLANAN TEBLİĞ :
1 ALTÜRK SÜMEYYE,AVCI DAVUT,TAMER ÖMER,ATALAY YUSUF - CADMIUM (II) COMPLEX WITH 1H–PYRAZOLE–3–CARBOXYLIC ACID: A DFT STUDY - 2017
2 N. Günay, D. Kuzaliç, Y. Atalay, D. Avcı - Examination of the structure of N'-(2-methoxybenzylidene)-N-methylpyrazine-2-carbohydrazide by means of theoretical molecular structure, IR, NMR and HOMO-LUMO analysis - 2-5 September 2013 - 2013
3 N. Günay, D. Kuzaliç, Y. Atalay, D. Avcı - Molecular structure, polarizability, hyperpolarizability analysis and spectroscopic characterization of N'-(4-cyanobenzylidene)-N-methylpyrazine-2-carbohydrazide dihydrate with quantum chemical calculations - 2-5 September 2013 - 2013
4 D. Kuzaliç, N. Günay, Y. Atalay, D. Avcı - A theoretical study on the N'-benzylidenen-methylpyrazine-2-carbohydrazide - 2-5 September 2013 - 2013
5 D. Kuzaliç, N. Günay, Y. Atalay, D. Avcı - Spectroscopic studies, potential energy surface and molecular orbital calculations of N-methyl-N'-(2-nitrobenzylidene)pyrazine-2-carbohydrazide - 2-5 September 2013 - 2013
6 N. ÖNER Ö. TAMER, D. AVCI, Y. ATALAY - QUANTUM CHEMICAL CALCULATIONS OF 10-(2- HYDROXYETHYL)ACRIDI N-9(10H)-ONE: A DFT STUDY - 2-5 September - 2013
7 N. ÖNER Ö. TAMER, D. AVCI, Y. ATALAY - STRUCTURAL AND SPECTROSCOPIC INVESTIGATIONS ON LCYSTEINIUM SEMIOXALATE USING B3LYP LEVEL - 2-5 September - 2013
8 N. ÖNER Ö. TAMER, D. AVCI, Y. ATALAY - STUCTURAL, SPECTROSCOPIC AND NLO ANALYSIS ON 2- (TOLUENE-4- SULFONYLAMINO)- BENZOIC ACID - 2-5 September - 2013
9 Ç. GÜNEŞ Ö. TAMER, D. AVCI, Y. ATALAY - SPECTROSCOPIC AND STRUCTURAL PROPERTIES OF 9- DEAZAHYPOXANTHINE COMPOUND:AN EFFICENT NLO MATERIAL - 2-5 September - 2013
10 Ç. GÜNEŞ Ö. TAMER, D. AVCI, Y. ATALAY - SPECTROSCOPIC AND STRUCTURAL PROPERTIES OF 9- DEAZAHYPOXANTHINE COMPOUND:AN EFFICENT NLO MATERIAL - 2-5 September - 2013
11 Ç. GÜNEŞ Ö. TAMER, D. AVCI, Y. ATALAY - QUANTUM CHEMICAL CALCULATIONS ON 1- HYDROXY-1H-BENZO [D][1,2,6]OXAZABORININ4( 3H)-ONE - 2-5 September - 2013
12 Davut AVCI, Zeynep GÜNAY, Ömer TAMER and Yusuf ATALAY - DFT calculations on the spectroscopic and structural parameters of Donor-Acceptor groups-containing chromophores - 1-6 september - 2013
13 Davut AVCI, Zeynep GÜNAY, Ömer TAMER and Yusuf ATALAY - The nonlinear optical properties and electronic transitions of benzimidazole, pyrrole, and thienyl-containing chromophores - 1-6 september - 2013
14 Ömer TAMER, Davut AVCI, Zeynep GÜNAY and Yusuf ATALAY - First hyperpolarizability and HOMO-LUMO analysis of azo-chromophore-containing compounds - 1-6 september - 2013
15 Ömer TAMER, Davut AVCI, Zeynep GÜNAY and Yusuf ATALAY - Quantum chemical calculations of structural and spectroscopic properties of azo-chromophore containing compounds: A detailed vibrational study - 1-6 september - 2013
16 Davut Avcı, Ömer Tamer, Zeynep Günay, Yusuf Atalay - Ab Initio HF and DFT Calculations on Nonlinear Optical Properties Ab Initio HF and DFT Calculations on Nonlinear Optical Properties and Molecular Parameters of Thiazolylazopyrimidine Chromophores - August 26-30, - 2012
17 Davut Avcı, Zeynep Günay, Ömer Tamer, Yusuf Atalay - DFT Calculations on Thiazolylazopyrimidine Chromophores - August 26-30 - 2012
18 Davut Avcı, Ömer Tamer, Zeynep Günay, Yusuf Atalay - Ab Initio HF and DFT Calculations on Nonlinear Optical Properties Ab Initio HF and DFT Calculations on Nonlinear Optical Properties and Molecular Parameters of Thiazolylazopyrimidine Chromophores - August 26-30 - 2012
7.6-ULUSAL KONGRE VE SEMPOZYUMLARDA SÖZLÜ OLARAK SUNULAN VE TAM METİN OLARAK YAYIMLANAN TEBLİĞ :
1 ATALAY,YUSUF - A theoretical study of molecular structure and vibrational spectra of Glyoxal 4-nitrophenylhydrazone by HF and DFT methods - 2008 - B-SAU-1182
2 ATALAY,YUSUF - 1-[(4-metilfenilimino)metil]-2-hidroksi-3-metoksifenol Molekülünün Geometrik Yapısının ve Spektroskopik Özelliklerinin Teorik Olarak İncelenmesi - 2007 - B-SAU-1184
3 ATALAY,YUSUF - ?1-[(4-klorofenilimino)metil]-2-hidroksi-3-metoksifenol Molekülünün Geometrik Yapısının ve Kimyasal Kayma Değerlerinin Teorik Olarak İncelenmesi? - 2007 - B-SAU-1185
4 ATALAY,YUSUF - ?1-[(4-metilfenilimino)metil]-2-hidroksi-3-metoksifenol Molekülünün Geometrik Yapısının ve Spektroskopik Özelliklerinin Teorik Olarak İncelenmesi? - 2007 - B-SAU-1186
5 ATALAY,YUSUF - Yoğunluk Fonksiyonu Teorisini (DFT) ve Hartree-Fock Yöntemini Kullanarak 3-Metil-4-Fenilasetilamino-4,5-Dihidro-1H-1,2,4-Triazol-5-On Molekülünün Titreşim Frekanslarının Hesaplanması? Kafkas üniversitesi - 2004 - B-SAU-1187
6 ATALAY,YUSUF - DFT ve HF Yöntemi Kullanarak Bazı 4,5-Dihidro-1h-1,2,4-Triazol-5-On Türevinin Molekül Titreşim Frekanslarının Hesaplanması - 2004 - B-SAU-1188
7 ATALAY,YUSUF - An Interferometric Method Refractive Index in Glasses Containing Nonoparticles - 1999 - B-SAU-1183
2.4 A-TÜBİTAK (1002, 3001) DESTEKLİ PROJEDE YÜRÜTÜCÜ OLMAK :
1 3001-Yeni 6-Metilpiridin-2-Karboksilik Asit İçeren Karışık Ligantlı Farklı Metal Komplekslerin Sentezi, Yapılarının Detaylı Analizi Ve ?-Glukozidaz Enzim Inhibisyonunun In Vitro İncelenmesi - Vol.60000 - 117F234 - 2017
2.13 A-BAŞARIYLA TAMAMLANAN YÜKSEKÖĞRETİM KURUMLARI TARAFINDAN DESTEKLENMİŞ BİLİMSEL ARAŞTIRMA PROJESİNDE (YALNIZCA AR-GE NİTELİĞİNDEKİ PROJELER-LİSANSÜSTÜ TEZ PROJELERİ HARİÇ) YÜRÜTÜCÜ OLMAK :
1 Yusuf ATALAY,Nazmiye ÖNER - Bir p-kloranil Molekülünün Geometrik, Spektroskopik ve Optik Yapısının Teorik Olarak İncelenmesi - Vol. 3000 - DOI : Devam Ediyor - 2013-50-01-014 - 2013
2 Yusuf ATALAY - Bazı Antibyotik Türü Bileşiklerin Spektroskopik özelliklerinin Teorik Olarak İncelenmesi - Vol.2000 - DOI : Devam Ediyor - 2 - 2006 - SAU-FBDTEZ -2006-FBD-014
3 Yusuf ATALAY - Bazı moleküllerin Spektroskopik ve lineer olmayan optik özelliklerinin teorik olarak incelenmesi - Vol.2000 - DOI : Devam Ediyor - 11 - 2006 - SAU-FBDTEZ -2006-50-02-052
2.13 B-BAŞARIYLA TAMAMLANAN YÜKSEKÖĞRETİM KURUMLARI TARAFINDAN DESTEKLENMİŞ BİLİMSEL ARAŞTIRMA PROJESİNDE (YALNIZCA AR-GE NİTELİĞİNDEKİ PROJELER) ARAŞTIRMACI OLMAK :
1 Yeni 1,3-Tiyazolidin-2,-4-Dikarboksilik Asit Komplekslerinin Sentezi, Yapılarının Aydınlatılması, Lineer Olmayan Optik Özellikleri ve Uyarılmış Seviye Elektronik Özelliklerinin Modellenmesi - Vol.15000 - 2013-02-02-013 - 2015
2 İbrahim OKUR,Yusuf KARAKUޞ, Yusuf ATALAY, Mehmet KANDAZ - Yeni Bazı Polimerik ve Kristal formlu ince filmlerin lineer ve lineer olmayan optik özelliklerinin araştırılması - Vol.30000 - DOI : Tamamlandı - 9 - 2007 - SAU-BAP -2007-02-02-002
3 Yusuf ATALAY,Davut AVCI, Adil BAޞOОLU - Bazı triazol bileşenlerinin spektroskopik (NMR,IR) özelliklerinin teorik olarak incelenmesi - Vol.10000 - 9 - 2012-50-01-024 - 2007 - SAU-BAP -2007-02-02-001
4 Bazı molekülerin titreşim frekanslarının teorik yolla hesaplanması - DOI : Tamamlandı - 2000-4 - 2000
5 Bazı moleküllerin titreşim frekanslarının teorik yolla hesaplanması - Vol.1000 - DOI : Tamamlandı - 2000-4 - 2000
9.1-SSCI, SCI-EXP, AHCI, SCOPUS KAPSAMINDAKİ DERGİLERDE BAŞ EDİTÖRLÜK :
1 YUSUF ATALAY; - Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) - 2015
2 YUSUF ATALAY; - Materials Letters - 2015
3 YUSUF ATALAY; - Materials Letters - 2015
4 YUSUF ATALAY; - Materials Letters - 2015
5 YUSUF ATALAY; - Materials Letters - 2015
6 YUSUF ATALAY; - Materials Letters - 2015
7 YUSUF ATALAY; - Materials Letters - 2014
8 YUSUF ATALAY; - Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) - 2014
9 YUSUF ATALAY; - Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) - 2014
10 YUSUF ATALAY; - Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) - 2014
11 YUSUF ATALAY; - Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) - 2014
12 YUSUF ATALAY; - Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) - 2014
13 YUSUF ATALAY; - Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) - 2014
14 YUSUF ATALAY; - Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) - 2014
15 YUSUF ATALAY; - Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) - 2014
16 Advances in Chemistry - 2013
9.3-SSCI, SCI-EXP, AHCI, SCOPUS, ESCI DIŞINDAKİ ALAN ENDEKSLERİNDEKİ DERGİLERDE BAŞ EDİTÖRLÜK :
1 Chemical Technology : An Indian Journal - 2013
2 journal of spectroscopy and dynamics - 2013
3 Journal of Analytical Methods in Chemis - 2013
9.6-SSCI, SCI-EXP, AHCI, SCOPUS, ESCI DIŞINDAKİ ALAN ENDEKSLERİNDEKİ DERGİLERDE BAŞ EDİTÖRLÜK DIŞINDAKİ DİĞER EDİTÖRLÜKLER :
1 Central European Journal of Chemistry - Vol.1 - 2013
2 Materials Letters - Vol.1 - 2013
3 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Vol.1 - 2013
4 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Vol.1 - 2013
5 Materials Letters - Vol.1 - 2013
6 Journal of Theoretical Chemistry - Vol.1 - 2013
7 SAUFBE-96636_(1)_Manuscript[1] - Vol.2 - 2012
8 Chemical Research Society of India - Vol.2 - 2012
9 Materials Science and Engineering B - Vol.1 - 2012
10 Materials Letters - Vol.1 - 2012
11 Central European Journal of Chemistry - Vol.1 - 2012
12 Quantum Electronics, IEEE Journal of - Vol.1 - 2012
13 T.C BEYKENT ÜNİVERSİTESİ FEN BİLİMLERİ ENSTİTÜSÜ DERGİSİ T.C BEYKENT ÜNİVERSİTESİ FEN BİLİMLERİ ENSTİTÜSÜ DERGİSİ JOURNAL OF SCIENCE AND TECHNOLOGY - Vol.2 - 2012
14 Journal of Materials Science - Vol.1 - 2012
15 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Vol.1 - 2012
16 Indian Journal of Physics - Vol.1 - 2012
17 Spectroscopy Letters - Vol.1 - 2012
18 Molecular Simulation - Vol.1 - 2012
19 Journal of Molecular Structure - Vol.1 - 2012
20 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Vol.1 - 2011
21 Materials Letters - Vol.1 - 2011
22 Technology, Beijing University of Chemical Technology, - Vol.2 - 2010
23 Materials Letters - Vol.1 - 2010
24 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Vol.1 - 2010
25 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Vol.1 - 2009
26 Journal of Molecular Structure - Vol.1 - 2009
27 Materials Letters - Vol.1 - 2009
12.1-YÖNETİMİNDE TAMAMLANAN HER DOKTORA/SANATTA YETERLİLİK TEZİ İÇİN :
1 YUSUF ATALAY; - OKSİNDOL İÇEREN BAZI MOLEKÜLLERİN GEOMETRİK, ELEKTRONİK VE SPEKTROSKOPİK ÖZELLİKLERİNİN TEORİK OLARAK İNCELENMESİ - NERGİN GÜNAY - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLRTİ - ATOM VE MOLEKÜL FİZİĞİ - 2014
2 Doç. Dr. Yusuf Atalay - Bazı Piridin ve Pirimidin Bileşiklerinin Geometrik,Elektronik ve Spektroskopik Özelliklerinin Teorik Olarak İncelenmesi - Hacer Pir - ISSN : - Sakarya - Fen Bilimleri - Atom ve Molekül Fiziği - 2013
3 Doç Dr. yusuf Atalay - Melamin içeren bazı moleküllerin geometrik ve spektroskopik özelliklerinin teorik olarak incelenmesi - Aslı Pekparlak - ISSN : - Sakarya - Fen Bilimleri - Atom ve Molekül Fiziği - 2012
4 YRD. DOÇ. DR. YUSUF ATALAY - HETEROATOM İÇEREN BAZI AROMATİK MOLEKÜLLERİN LİNEER OLMAYAN OPTİK VE SPEKTROSKOPİK ÖZELLİKLERİNİN TEORİK OLARAK İNCELENMESİ - DAVUT AVCI - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2009
5 YRD. DOÇ. DR. YUSUF ATALAY - 4-FENİL-1,3-OKSAZOLİDİN-2-ON İLE KÜKÜRTLÜ ANALOGLARININ GEOMETRİK, OPTİK VE TİTREŞİM ÖZELLİKLERİNİN TEORİK OLARAK İNCELENMESİ - ADİL BAŞOĞLU - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2009
12.2-YÖNETİMİNDE TAMAMLANAN HER YÜKSEK LİSANS TEZİ İÇİN :
1 YUSUF ATALAY; - N,N DİMETİLTRİPTAMİN'İN GEOMETRİK VE SPEKTROSKOPİK ÖZELLİKLERİNİN TEORİK OLARAK İNCELENMESİ - Nazmiye Öner - Sakarya - Fen Bilimleri - Atom ve Molekül Fiziği - 2015
2 DOÇ.DR.YUSUF ATALAY - BİS(OKSİ-1-METİLKİNOLİNYUM) HİDROİYODÜR MOLEKÜLÜNÜN GEOMETRİK VE SPEKTROSKOPİK YAPISININ İNCELENMESİ - BÜLENT SAYGIN - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2011
3 YRD. DOÇ. DR. YUSUF ATALAY - ELEKTRONİK YAPILARDA DFT TABANLI HESAPLAMALAR VE NANO-DÜZEYDEKİ MOLEKÜL BAĞLANTILARININ İLETİM KATSAYISI - BERNA AKGENÇ - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2010
4 YRD. DOÇ. DR. YUSUF ATALAY - BOSE-EINSTEIN YOĞUNLAŞMASININ DİNAMİĞİ - KEVSER ÇİÇEK - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2010
5 YRD. DOÇ. DR. YUSUF ATALAY - PİPERAZİNYUMBİS(4-HİDROKSİBENZENSÜLFONAT)MOLEKÜLÜNÜN SPEKTROSKOPİK ÖZELLİKLERİNİN TEORİK OLARAK İNCELENMESİ - SELDA KALYONCU - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2010
6 YRD. DOÇ. DR. YUSUF ATALAY - MELAMİN PTHALATE MOLEKÜLÜNÜN OPTİK, GEOMETRİK, SPEKTROSKOPİK ÖZELLİKLERİNİN TEORİK OLARAK İNCELENMESİ - ÖZGÜ ALTINDAĞ - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2008
7 YRD. DOÇ. DR. YUSUF ATALAY - SPİRO FOSFOZEN MOLEKÜLÜNÜN GEOMETRİK YAPISININ VE TİTREŞİM FREKANSLARININ TEORİK OLARAK İNCELENMESİ - ASLI DİNÇ - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2006
8 YRD. DOÇ. DR. YUSUF ATALAY - 2, 6-DİSTRİLPRİDİN MOLEKÜLÜNÜN MOLEKÜL YAPISININ VE TİTREŞİM FREKANSLARININ TEORİK OLARAK İNCELENMESİ - YEŞİM GÜRŞEN - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2006
9 YRD. DOÇ. DR. YUSUF ATALAY - MELAMİN DİBORAT MOLEKÜLÜNÜN MOLEKÜL YAPISININ VE TİTREŞİM FREKANSLARININ TEORİK OLARAK İNCELENMESİ - DAVUT AVCI - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2005
10 YRD. DOÇ. DR. YUSUF ATALAY - N-MESİL HİDROKSİLAMİN VE N-MESİL-O-METİL HİDROKSİLAMİN MOLEKÜLLERİNİN ATOMLARININ TİTREŞİM FREKANSLARININ TEORİK OLARAK İNCELENMESİ - ABDURRAHMAN ÖZTÜRK - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2004
11 YRD. DOÇ. DR. YUSUF ATALAY - MAĞNEZYUM ASETAT,ÇİNKO ASETAT VE MAĞNEZYUM-ÇİNKO ASETAT'IN TİTREŞİM FREKANSLARININ TEORİK OLARAK İNCELENMESİ - GÜNSELİ KIR - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2003
12 YRD. DOÇ. DR. YUSUF ATALAY - ABA (MG) MOLEKÜLÜNÜN TİTREŞİM FREKANSLARININ TEORİK OLARAK HESAPLANMASI - İSMAİL YILMAZ - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2003
13 YRD. DOÇ. DR. YUSUF ATALAY - 4- AMİNOMORFOLİN MOLEKÜLÜNÜN TİTREŞİM FREKANSLARININ İNCELENMESİ - ADİL BAŞOĞLU - ISSN : - SAKARYA ÜNİVERSİTESİ - FEN BİLİMLERİ ENSTİTÜSÜ - FİZİK - 2002
13.1-LİSANSÜSTÜ DÜZEYDE DERS VERMEK. (SON 3 YILDA HER DERS İÇİN, HER YIL İÇİN EN FAZLA 5 DERS) :
1 İLERİ KUANTUM MEKANİĞİ II - 2013-2014 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2013
2 İLERİ ELEKTROMANYETİK TEORİ - 2012-2013 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2012
3 FİZİKTE İLERİ MATEMATİK YÖNTEMLER - 2012-2013 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2012
4 UZMANLIK ALANI-DOKTORA - 2012-2013 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2012
5 UZMANLIK ALANI-Y.LİSANS - 2012-2013 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2012
6 İLERİ ATOM VE MOLEKÜL FİZİĞİ II - 2011-2012 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2011
7 SPEKTRAL ANALİZ YÖNTEMLERİ - 2011-2012 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2011
8 UZMANLIK ALANI-Y.LİSANS - 2011-2012 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2011
9 UZMANLIK ALANI-Y.LİSANS - 2011-2012 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2011
10 UZMANLIK ALANI-DOKTORA - 2011-2012 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2011
11 UZMANLIK ALANI-DOKTORA - 2011-2012 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2011
12 UZMANLIK ALANI-DOKTORA - 2010-2011 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2010
13 UZMANLIK ALANI-DOKTORA - 2010-2011 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2010
14 UZMANLIK ALANI-Y.LİSANS - 2010-2011 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2010
15 UZMANLIK ALANI-Y.LİSANS - 2010-2011 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2010
16 İLERİ ATOM VE MOLEKÜL FİZİĞİ II - 2010-2011 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2010
17 SPEKTRAL ANALİZ YÖNTEMLERİ - 2010-2011 Eğitim Öğretim Yılı Yüksek Lisans Dersleri - pp.3 - ISSN : 1 - 2010
13.2-LİSANS DÜZEYİNDE DERS VERMEK. (SON 3 YILDA HER DERS İÇİN, HER YIL İÇİN EN FAZLA 5 DERS) :
1 FİZİK II - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2013
2 BİTİRME ÇALIŞMASI - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.0 - ISSN : 1 - 2013
3 SPEKTROSKOPİK YÖNTEMLER - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2013
4 FİZİK I - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2013
5 ISI VE IŞIK BİLGİSİ - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2013
6 NMR VE GÖRÜNTÜLEME - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2013
7 SPEKTROSKOPİK YÖNTEMLER - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2013
8 FİZİK I - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2013
9 FİZİK II - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2013
10 BİTİRME ÇALIŞMASI - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.0 - ISSN : 2 - 2013
11 FİZİK VE GEOMETRİK OPTİK I - 2013-2014 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.2 - ISSN : 1 - 2013
12 FİZYOTERAPİDE ÖLÇME VE DEĞERLENDİRME - 2012-2013 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.2 - ISSN : 1 - 2012
13 FİZİK II - 2012-2013 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2012
14 FİZİK II - 2012-2013 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2012
15 SPEKTROSKOPİK YÖNTEMLER - 2012-2013 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2012
16 SPEKTROSKOPİK YÖNTEMLER - 2012-2013 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2012
17 FİZİK I - 2012-2013 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2012
18 NMR VE GÖRÜNTÜLEME - 2012-2013 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2012
19 FİZİK I - 2012-2013 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2012
20 ISI VE IŞIK BİLGİSİ - 2012-2013 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2012
21 NMR VE GÖRÜNTÜLEME - 2012-2013 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2012
22 KLASİK MEKANİK - 2011-2012 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.4 - ISSN : 1 - 2011
23 FİZİK I - 2011-2012 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2011
24 FİZİK II - 2011-2012 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2011
25 FİZİK I - 2011-2012 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2011
26 FİZİK II - 2011-2012 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2011
27 GENEL FİZİK III - 2011-2012 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.2 - ISSN : 2 - 2011
28 FİZİKTE ÖZEL KONULAR - 2011-2012 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.2 - ISSN : 2 - 2011
29 KLASİK MEKANİK - 2011-2012 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.4 - ISSN : 2 - 2011
30 MOLEKÜL FİZİĞİNDE SEÇME KONULAR - 2011-2012 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.2 - ISSN : 1 - 2011
31 SPEKTROSKOPİ - 2011-2012 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.2 - ISSN : 2 - 2011
32 X- IŞINLARI - 2010-2011 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.2 - ISSN : 2 - 2010
33 GENEL FİZİK I - 2010-2011 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2010
34 GENEL FİZİK II - 2010-2011 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2010
35 MODERN FİZİK - 2010-2011 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.4 - ISSN : 2 - 2010
36 FİZİK I - 2010-2011 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 2 - 2010
37 GENEL FİZİK I - 2010-2011 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2010
38 GENEL FİZİK II - 2010-2011 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.3 - ISSN : 1 - 2010
39 MODERN FİZİK - 2010-2011 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.4 - ISSN : 1 - 2010
40 X- IŞINLARI - 2010-2011 Eğitim Öğretim Yılı Ön Lisans/Lisans Dersleri - pp.2 - ISSN : 1 - 2010
MAKALELER
A new mixed-ligand zinc(II) complex of 3-hydroxy and 4-chloro substituted pyridine-2-carboxylic acid: Synthesis, characterization, NLO properties and DFT calculation
Theoretical Investigation of Structural, Spectroscopic (IR, 1H and 13 C NMR), Static, and Frequency-Dependent Nonlinear Optical Properties of 4-[(1E)-3-(4-Methoxyphenyl)-3-Oxoprop-1-en-1-yl]Phenyl 4-Methylbenzene-1-Sulfonate
An investigation on spectroscopic, linear and nonlinear optical parameters of a potential NLO compound
In vitro α-glucosidase, docking and density functional theory studies on novel azide metal complexes
Novel schiff base-azide metal complexes: Synthesis, spectral, nonlinear optics, and DFT studies
Comparative assessment of structure–property relationships of new Cu(II) complex in selected density functionals
Influence of Co(II) and Cd(II) metal ions on structural, electronic and nonlinear optical properties of 4-methoxypyridine-2-carboxylic acid complexes: An experimental and computational study
In vitro α-glucosidase, docking and density functional theory studies on novel azide metal complexes
Comparative assessment of structure–property relationships of new Cu(II) complex in selected density functionals
In vitro α-glucosidase, docking and density functional theory studies on novel azide metal complexes
Influence of Co(II) and Cd(II) Metal Ions on Structural, Electronic and Nonlinear Optical Properties of 4-methoxypyridine-2-carboxylic Acid Complexes: An Experimental and Computational Study
Novel schiff base-azide metal complexes: Synthesis, spectral, nonlinear optics, and DFT studies
Novel schiff base-azide metal complexes: Synthesis, spectral, nonlinear optics, and DFT studies
Synthesis, DFT calculations, α‐glucosidase inhibitor activity, and docking studies on Schiff base metal complexes containing isothiocyanate
Synthesis, crystal structures, and DFT calculations: novel Mn(II), Co(II) and Ni(II) complexes of N-(pyridin-2-ylmethylene)methanamine with isothiocyanate as promising optical materials
Experimental and Computational Interaction Studies of (E)-N\u2019-Benzylidene-5-Methyl-1H-Pyrazole-3-Carbohydrazide with α-Glucosidase and α-Amylase Enzymes: A Detailed Structural, Spectroscopic, and Biophysical Study
Synthesis, DFT calculations, α‐glucosidase inhibitor activity, and docking studies on Schiff base metal complexes containing isothiocyanate
Synthesis, crystal structures, and DFT calculations: novel Mn(II), Co(II) and Ni(II) complexes of N-(pyridin-2-ylmethylene)methanamine with isothiocyanate as promising optical materials
A theoretical investigation on hirshfeld surface, IR., UV–Vis, 1H and 13C NMR spectra, nonlinear optical properties, and in silico molecular docking of an organometallic compound: Dibromobis(l-proline)zinc(II)
A theoretical investigation on hirshfeld surface, IR., UV–Vis, 1H and 13C NMR spectra, nonlinear optical properties, and in silico molecular docking of an organometallic compound: Dibromobis(l-proline)zinc(II)
Experimental and Computational Interaction Studies of (E)-N’-Benzylidene-5-Methyl-1H-Pyrazole-3-Carbohydrazide with α-Glucosidase and α-Amylase Enzymes: A Detailed Structural, Spectroscopic, and Biophysical Study
Synthesis, crystal structures, and DFT calculations: novel Mn(II), Co(II) and Ni(II) complexes of N-(pyridin-2-ylmethylene)methanamine with isothiocyanate as promising optical materials
Synthesis, DFT calculations, α‐glucosidase inhibitor activity, and docking studies on Schiff base metal complexes containing isothiocyanate
The static and frequency‐dependent second‐ and third‐order nonlinear optical properties of Zn(II) and Ni(II) complexes of 4‐methoxypyridine‐2‐carboxylic acid: A detailed experimental and theoretical study
Synthesis, DFT calculations, α‐glucosidase inhibitor activity, and docking studies on Schiff base metal complexes containing isothiocyanate
Ab-Initio study of dopamine, absorbic acid and uric acid adsorption on graphene and InBi monolayer with effects of charging and green’s function method
Synthesis, DFT calculations, α‐glucosidase inhibitor activity, and docking studies on Schiff base metal complexes containing isothiocyanate
Synthesis, crystal structures, and DFT calculations: novel Mn(II), Co(II) and Ni(II) complexes of N-(pyridin-2-ylmethylene)methanamine with isothiocyanate as promising optical materials
Experimental and Computational Interaction Studies of (E)-N’-Benzylidene-5-Methyl-1H-Pyrazole-3-Carbohydrazide with α-Glucosidase and α-Amylase Enzymes: A Detailed Structural, Spectroscopic, and Biophysical Study
2-thioxo-3N-(2-ethoxyphenyl)-5[4′-methyl-3′N-(2′-ethoxyphenyl) thiazol-2′(3′H)-ylidene] thiazolidin-4-one: Growth, spectroscopic behavior, single-crystal investigation, Hirshfeld surface analysis, DFT/TD-DFT computational studies and NLO evaluation
A theoretical investigation on hirshfeld surface, IR., UV–Vis, 1H and 13C NMR spectra, nonlinear optical properties, and in silico molecular docking of an organometallic compound: Dibromobis(l-proline)zinc(II)
Synthesis, crystal structures, and DFT calculations: novel Mn(II), Co(II) and Ni(II) complexes of N-(pyridin-2-ylmethylene)methanamine with isothiocyanate as promising optical materials
Synthesis, DFT calculations, α‐glucosidase inhibitor activity, and docking studies on Schiff base metal complexes containing isothiocyanate
Static/dynamic first and second order hyperpolarizabilities, optimized structures, IR, UV–Vis, 1H and 13C NMR spectra for effective charge transfer compounds: A DFT study
Ab-Initio study of dopamine, absorbic acid and uric acid adsorption on graphene and InBi monolayer with effects of charging and green’s function method
The static and frequency‐dependent second‐ and third‐order nonlinear optical properties of Zn(II) and Ni(II) complexes of 4‐methoxypyridine‐2‐carboxylic acid: A detailed experimental and theoretical study
Experimental and theoretical approaches on structural, spectroscopic (FT‐IR and UV‐Vis), nonlinear optical, and molecular docking analyses for Zn (II) and Cu (II) complexes of 6‐chloropyridine‐2‐carboxylic acid
Synthesis, crystal structure, spectroscopic characterization, α-glucosidase inhibition and computational studies of (E)-5-methyl-N\u2032-(pyridin-2-ylmethylene)-1H-pyrazole-3-carbohydrazide
Experimental and theoretical approaches on structural, spectroscopic (FT-IR and UV-Vis), nonlinear optical, and molecular docking analyses for Zn (II) and Cu (II) complexes of 6-chloropyridine-2-carboxylic acid
Experimental and theoretical approaches on structural, spectroscopic (FT‐IR and UV‐Vis), nonlinear optical, and molecular docking analyses for Zn (II) and Cu (II) complexes of 6‐chloropyridine‐2‐carboxylic acid
First and second order hyperpolarizabilities of flavonol derivatives: A density functional theory study
Synthesis, crystal structure, spectroscopic characterization, α-glucosidase inhibition and computational studies of (E)-5-methyl-N\u2032-(pyridin-2-ylmethylene)-1H-pyrazole-3-carbohydrazide
First and second order hyperpolarizabilities of flavonol derivatives: A density functional theory study
Synthesis, crystal structure, spectroscopic characterization, α-glucosidase inhibition and computational studies of (E)-5-methyl-N′-(pyridin-2-ylmethylene)-1H-pyrazole-3-carbohydrazide
Experimental and Computational Interaction Studies of (E)-N’-Benzylidene-5-Methyl-1H-Pyrazole-3-Carbohydrazide with α-Glucosidase and α-Amylase Enzymes: A Detailed Structural, Spectroscopic, and Biophysical Study
Experimental and theoretical approaches on structural, spectroscopic (FT‐IR and UV‐Vis), nonlinear optical, and molecular docking analyses for Zn (II) and Cu (II) complexes of 6‐chloropyridine‐2‐carboxylic acid
Structural, Electronic, Thermodynamic, Optical and Nonlinear Optical Properties of Curcumin Complexes with Transition Metals: DFT and TD‐DFT Study
First and second order hyperpolarizabilities of flavonol derivatives: A density functional theory study
2-thioxo -3N-(2-ethoxyphenyl) -5[4′-methyl -3′N-(2′-ethoxyphenyl) thiazol-2′(3′H)-ylidene] thiazolidin-4-one: Growth, spectroscopic behavior, single-crystal investigation, Hirshfeld surface analysis, DFT/TD-DFT computational studies and NLO evaluation
Novel Mn(II) and Zn(II) complexes of 6‐bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations
Concentration effects on optical properties, DFT, crystal characterization and α-glucosidase activity studies: Novel Zn(II) complex
Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent α-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking
Crystallographic, spectroscopic, thermal, optical investigations and density functional theory calculations for novel Co(II) and Mn(II) complexes
Novel Mn(II) and Zn(II) complexes of 6\u2010bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations
Concentration effects on optical properties, DFT, crystal characterization and α-glucosidase activity studies: Novel Zn(II) complex
Novel Mn(II) and Zn(II) complexes of 6\u2010bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations
Crystallographic, spectroscopic, thermal, optical investigations and density functional theory calculations for novel Co(II) and Mn(II) complexes
Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent α-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking
Concentration effects on optical properties, DFT, crystal characterization and α-glucosidase activity studies: Novel Zn(II) complex
Concentration effects on optical properties, DFT, crystal characterization and α-glucosidase activity studies: Novel Zn(II) complex
Novel Mn(II) and Zn(II) complexes of 6\u2010bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations
Concentration effects on optical properties, DFT, crystal characterization and alpha-glucosidase activity studies: Novel Zn(II) complex
Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent alpha-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking
Molecular modelling, spectroscopic characterization and nonlinear optical analysis on N-Acetyl-DL-methionine
Synthesis, crystal structure, spectroscopic (FT-IR, 1H and 13C NMR) and nonlinear optical properties of a novel potential HIV-1 protease inhibitor
Synthesis, crystal structure, spectroscopic (FT-IR, 1H and 13C NMR) and nonlinear optical properties of a novel potential HIV-1 protease inhibitor
Molecular modelling, spectroscopic characterization and nonlinear optical analysis on N-Acetyl-DL-methionine
Synthesis, DFT calculations and molecular docking study of mixed ligand metal complexes containing 4,4 ’xx-dimethyl-2,2 ’xx-bipyridyl as alpha-glucosidase inhibitors
Synthesis, spectral properties, alpha-glucosidase inhibition, second-order and third-order NLO parameters and DFT calculations of Cr(III) and V(IV) complexes of 3-methylpicolinic acid
Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4‐methoxy‐pyridine‐2‐carboxylic acid, molecular docking studies and investigation of their anti‐tumor effects iin vitro/i/title
Synthesis, spectral properties, in vitro alpha-glucosidase inhibitory activity and quantum chemical calculations of novel mixed-ligand M(II) complexes containing 1,10-phenanthroline
Synthesis, spectral properties, α-glucosidase inhibition, second-order and third-order NLO parameters and DFT calculations of Cr(III) and V(IV) complexes of 3-methylpicolinic acid
Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4\u2032-dimethyl-2,2\u2032-dipyridyl
Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4′-dimethyl-2,2′-dipyridyl
Synthesis, spectral properties, in vitro α-glucosidase inhibitory activity and quantum chemical calculations of novel mixed-ligand M(II) complexes containing 1,10-phenanthroline
Synthesis, spectral properties, α-glucosidase inhibition, second-order and third-order NLO parameters and DFT calculations of Cr(III) and V(IV) complexes of 3-methylpicolinic acid
Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent α-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking
Synthesis, DFT calculations and molecular docking study of mixed ligand metal complexes containing 4,4′-dimethyl-2,2′-bipyridyl as α-glucosidase inhibitors
Synthesis, DFT calculations and molecular docking study of mixed ligand metal complexes containing 4,4′-dimethyl-2,2′-bipyridyl as α-glucosidase inhibitors
Synthesis, spectral properties, in vitro/i α‐glucosidase inhibitory activity and quantum chemical calculations of novel mixed‐ligand M(II) complexes containing 1,10‐phenanthroline
Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4′-dimethyl-2,2′-dipyridyl
Synthesis, spectral properties, α-glucosidase inhibition, second-order and third-order NLO parameters and DFT calculations of Cr(III) and V(IV) complexes of 3-methylpicolinic acid
Molecular modelling, spectroscopic characterization and nonlinear optical analysis on N-Acetyl-DL-methionine
Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4‐methoxy‐pyridine‐2‐carboxylic acid, molecular docking studies and investigation of their anti‐tumor effects iin vitro/i/title
Structural, Spectroscopic, Electronic Analysis with Nonlinear Optical Activity of L-Methionine L-Methioninium Hydrogen Maleate: a DFT study
Synthesis, crystal structure, spectroscopic (FT-IR, 1H and 13C NMR) and nonlinear optical properties of a novel potential HIV-1 protease inhibitor
A new dinuclear copper (II) complex of 2,5-Furandicarboxyclic acid with 4(5)-Methylimidazole as a high potential α-glucosidase inhibitor: Synthesis, Crystal structure, Cytotoxicity study, and TD/DFT calculations
A novel series of M(II) complexes of 6‐methylpyridine‐2‐carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, α‐glucosidase activity, density functional theory calculations and molecular docking
Crystal structure and Hirshfeld surface analysis of ( iE/i )-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2 iH/i )-one/title
Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N’xx-(2,4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide
Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, α-Glucosidase İnhibition and TD/DFT Study
A novel series of mixed-ligand M(II) complexes containing 2,2′-bipyridyl as potent α-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking
Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, α-glucosidase inhibition, DFT calculations, and molecular docking
A novel series of M(II) complexes of 6-methylpyridine-2-carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, alpha-glucosidase activity, density functional theory calculations and molecular docking
Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, -Glucosidase nhibition and TD/DFT Study
A novel series of mixed-ligand M(II) complexes containing 2,2′-bipyridyl as potent α-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking
Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, α-glucosidase inhibition, DFT calculations, and molecular docking
A new dinuclear copper (II) complex of 2,5-Furandicarboxyclic acid with 4(5)-Methylimidazole as a high potential alpha-glucosidase inhibitor: Synthesis, Crystal structure, Cytotoxicity study, and TD/DFT calculations
title Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4‐methoxy‐pyridine‐2‐carboxylic acid, molecular docking studies and investigation of their anti‐tumor effects iin vitro/i/title
title Crystal structure and Hirshfeld surface analysis of ( iE/i )-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2 iH/i )-one/title
A new dinuclear copper (II) complex of 2,5-Furandicarboxyclic acid with 4(5)-Methylimidazole as a high potential α-glucosidase inhibitor: Synthesis, Crystal structure, Cytotoxicity study, and TD/DFT calculations
A new dinuclear copper (II) complex of 2,5-Furandicarboxyclic acid with 4(5)-Methylimidazole as a high potential α-glucosidase inhibitor: Synthesis, Crystal structure, Cytotoxicity study, and TD/DFT calculations
A novel series of mixed-ligand M(II) complexes containing 2,2′-bipyridyl as potent α-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking
A novel series of mixed-ligand M(II) complexes containing 2,2′-bipyridyl as potent α-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking
A novel series of M(II) complexes of 6‐methylpyridine‐2‐carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, α‐glucosidase activity, density functional theory calculations and molecular docking
Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, α-glucosidase inhibition, DFT calculations, and molecular docking
Three novel Cu(II), Cd(II) and Cr(III) complexes of 6−Methylpyridine−2−carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular docking and α-Glucosidase inhibition studies
1H-pyrazole-3-carboxylic acid: Experimental and computational study
Copper(II) complex with 6-methylpyridine-2-carboxyclic acid: Experimental and computational study on the XRD, FT-IR and UV-Vis spectra, refractive index, band gap and NLO parameters
Crystal growth, structural and spectroscopic characterization, antimicrobial activity, DNA cleavage, molecular docking and density functional theory calculations of Zn(II) complex with 2-pyridinecarboxylic acid
Crystal structure and Hirshfeld surface analysis of (succinato-κO)[N,N,N′,N′-tetra­kis­(2-hy­droxy­eth­yl)ethyl­enedi­amine-κ5O,N,N′,O′,O′′]nickel(II) tetra­hydrate
Three novel Cu(II), Cd(II) and Cr(III) complexes of 6−Methylpyridine−2−carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular docking and α-Glucosidase inhibition studies
Antimicrobial activities, DNA interactions, spectroscopic (FT-IR and UV-Vis) characterizations, and DFT calculations for pyridine-2-carboxylic acid and its derivates
Crystal structure, spectroscopic (FT-IR, 1 H and 13 C NMR) characterization and density functional theory calculations on Ethyl 2-(dichloromethyl)-4-methyl-1-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carboxylate
Three novel Cu(II), Cd(II) and Cr(III) complexes of 6−Methylpyridine−2−carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular docking and α-Glucosidase inhibition studies
5-Methyl-2-thiophenecarboxaldehyde: Experimental and TD/DFT study
1 H –pyrazole–3–carboxylic acid: Experimental and computational study
5-Methyl-2-thiophenecarboxaldehyde: Experimental and TD/DFT study
Crystal growth, structural and spectroscopic characterization, antimicrobial activity, DNA cleavage, molecular docking and density functional theory calculations of Zn(II) complex with 2-pyridinecarboxylic acid
Optimized geometry, spectroscopic characterization and nonlinear optical properties of carbazole picrate: a density functional theory study
Antimicrobial activities, DNA interactions, spectroscopic (FT-IR and UV-Vis) characterizations, and DFT calculations for pyridine-2-carboxylic acid and its derivates
A Theoretical Study on N′-[(Z)-(4-Methylphenyl)Methylidene]-4-Nitrobenzohydrazide (NMPMN)
Crystal structure, spectroscopic (FT-IR, 1 H and 13 C NMR) characterization and density functional theory calculations on Ethyl 2-(dichloromethyl)-4-methyl-1-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carboxylate
Crystal structure and Hirshfeld surface analysis of (succinato-κO)[N,N,N’,N’-tetrakis(2-hydroxyethyl)ethylenediamine-κ5O,N,N’,O’,O’’]nickel(II) tetrahydrate
Copper(II) complex with 6-methylpyridine-2-carboxyclic acid: Experimental and computational study on the XRD, FT-IR and UV–Vis spectra, refractive index, band gap and NLO parameters
Comparison of different hybrid DFT methods on structural, spectroscopic, electronic and NLO parameters for a potential NLO material
3-hydroxy-4-hydroxyiminomethyl-5-hydroxymethyl-1,2-dimethylpyridinium iodide molekülünün geometrik yapısının incelenmesi
A novel Cu(II) Complex of Picolinate and 1,10-Phenanthroline: Preparation, Crystal Structure Determination, Spectroscopic Characterization and Nonlinear Optical Studies
Structure-property relationship of 3-(N-phthalimidomethyl)-4-amino-1,2,4-triazole-5-thione: A structural, spectroscopic and DFT study
Solvent effect in implicit/explicit model on FT–IR, 1 H, 13 C and 19 F NMR, UV–vis and fluorescence spectra, linear, second– and third–nonlinear optical parameters of 2–(trifluoromethyl)benzoic acid: Experimental and computational study
Conformational, spectroscopic and nonlinear optical investigations on 1-(4-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one: a DFT study
Spectroscopic (FT-IR, 1 H and 13 C NMR) characterization and density functional theory calculations for (Z)-5-(4-nitrobenzyliden)-3-N(2-ethoxyphenyl)-2-thioxo-thiazolidin-4-one (ARNO)
Comparison of different hybrid DFT methods on structural, spectroscopic, electronic and NLO parameters for a potential NLO material
Solvent effect in implicit/explicit model on FT-IR, H-1, C-13 and F-19 NMR, UV-vis and fluorescence spectra, linear, second- and third-nonlinear optical parameters of 2-(trifluoromethyl)benzoic acid: Experimental and computational study
Spectroscopic (FT-IR,H-1 and C-13 NMR) characterization and density functional theory calculations for (Z)-5-(4-nitrobenzyliden)-3-N(2-ethoxyphenyl)-2-thioxo-thiazolidin-4-one (ARNO)
Density functional theory calculations on (2e)-3-(3-Bromo-4-methoxyphenyl)-1-(pyridin-2-yl) prop-2-en-1-one
DFT calculations on spectroscopic, structural and NLO properties of silver (I) complex with picolinamide
Synthesis crystal structure spectroscopic characterization and nonlinear optical properties of manganese II complex of picolinate A combined experimental and computational study
DFT calculations on spectroscopic and structural properties of a NLO chromophore
A theoretical study on 3-(4-methoxyphenyl)-1-(pyridin-2-Yl) prop-2-en-1-one
A theoretical study on 2-amino-5-nitroprydinium trifluoroaceta
Synthesis, spectroscopic characterization and DFT calculations on N-(Phenylsulfonyl)-L-asparagine (NPLAS): A potential nonlinear optical material
Aldehyde Substituted Phthalocyanines: Synthesis, Characterization and Investigation of Photophysical and Photochemical Properties
Synthesis, X-Ray crystal structure, photophysical characterization and nonlinear optical properties of the unique manganese complex with picolinate and 1,10 phenantroline: toward the designing of new high NLO response crystal
Synthesis molecular structure spectral analysis and nonlinear optical studies on 4 4 bromophenyl 1 tert butyl 3 methyl 1H pyrazol 5 amine A combined experimental and DFT approach
Synthesis crystal structure spectroscopic characterization and nonlinear optical properties of manganese II complex of picolinate A combined experimental and computational study
Density functional theory calculations on conformational spectroscopic and electrical properties of 3 2 3 dimethoxyphenyl 1 pyridin 2 yl prop 2 en 1 one a potential nonlinear optical material
A theoretical study on structural spectroscopic electronic and nonlinear optical properties of 1 E 4 morpholin 4 yl phenyl imino methyl naphthalen 2 ol
Synthesis spectroscopic characterization and DFT calculations on N Phenylsulfonyl l asparagine NPLAS A potential nonlinear optical material
Aldehyde Substituted Phthalocyanines Synthesis Characterization and Investigation of Photophysical and Photochemical Properties
A Theoretical Study on Structural Spectroscopic Electronic and Nonlinear Optical Properties of 1 E 4 Morpholin 4 Yl Phenyl Imino Methyl Naphthalen 2 Ol
Synthesis molecular structure spectral analysis and nonlinear optical studies on 4 4 bromophenyl 1 tert butyl 3 methyl 1H pyrazol 5 amine A combined experimental and DFT approach
Synthesis crystal structure spectroscopic characterization and nonlinear optical properties of manganese II complex of picolinate A combined experimental and computational study
Synthesis crystal structure spectroscopic characterization and nonlinear optical properties of manganese II complex of picolinate A combined experimental and computational study
Density functional theory calculations on conformational spectroscopic and electrical properties of 3 2 3 dimethoxyphenyl 1 pyridin 2 yl prop 2 en 1 one a potential nonlinear optical material
Synthesis molecular structure spectral analysis and nonlinear optical studies on 4 4 bromophenyl 1 tert butyl 3 methyl 1H pyrazol 5 amine A combined experimental and DFT approach
Solvatochromic effect on UV vis absorption and fluorescence emission spectra second and third order nonlinear optical properties of dicyanovinyl substituted thienylpyrroles DFT and TDDFT study
A cobalt II complex with 6 methylpicolinate Synthesis characterization second and third order nonlinear optical properties and DFT calculations
Synthesis spectroscopic characterization and DFT calculations on N Phenylsulfonyl l asparagine NPLAS A potential nonlinear optical material
Structural spectroscopic nonlinear optical and electronic properties of calcium N phthaloylglycinate A combined experimental and theoretical study
Optimized geometry vibration IR and Raman spectra and nonlinear optical activity of p nitroanilinium perchlorate molecule A theoretical study
Solvent Effects on Molecular Structure Vibrational Frequencies and NLO Properties of N 2 3 Dichlorophenyl 2 Nitrobenzene Sulfonamide a Density Functional Theory Study
Synthesis, molecular structure, spectral analysis and nonlinear optical studies on 4-(4-bromophenyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-amine: A combined experimental and DFT approach
Density functional theory calculations on conformational spectroscopic and electrical properties of 3 2 3 dimethoxyphenyl 1 pyridin 2 yl prop 2 en 1 one a potential nonlinear optical material
Synthesis molecular structure spectral analysis and nonlinear optical studies on 4 4 bromophenyl 1 tert butyl 3 methyl 1H pyrazol 5 amine A combined experimental and DFT approach
Synthesis crystal structure spectroscopic characterization and nonlinear optical properties of manganese II complex of picolinate A combined experimental and computational study
Optimized geometry vibration IR and Raman spectra and nonlinear optical activity of p nitroanilinium perchlorate molecule A theoretical study
Aldehyde Substituted Phthalocyanines Synthesis Characterization and Investigation of Photophysical and Photochemical Properties
Solvent Effects on Molecular Structure Vibrational Frequencies and NLO Properties of N 2 3 Dichlorophenyl 2 Nitrobenzene Sulfonamide a Density Functional Theory Study
Solvatochromic effect on UV vis absorption and fluorescence emission spectra second and third order nonlinear optical properties of dicyanovinyl substituted thienylpyrroles DFT and TDDFT study
Synthesis spectroscopic characterization and DFT calculations on N Phenylsulfonyl l asparagine NPLAS A potential nonlinear optical material
A Theoretical Study on Structural Spectroscopic Electronic and Nonlinear Optical Properties of 1 E 4 Morpholin 4 Yl Phenyl Imino Methyl Naphthalen 2 Ol
A cobalt II complex with 6 methylpicolinate Synthesis characterization second and third order nonlinear optical properties and DFT calculations
Synthesis X Ray crystal structure photophysical characterization and nonlinear optical properties of the unique manganese complex with picolinate and 1 10 phenantroline toward the designing of new high NLO response crystal
Structural spectroscopic nonlinear optical and electronic properties of calcium N phthaloylglycinate A combined experimental and theoretical study
Synthesis spectroscopic characterization second and third order nonlinear optical properties and DFT calculations of a novel Mn II complex
Synthesis X ray structure spectroscopic characterization and nonlinear optical properties of triaqua 1 10 phenanthroline 2 9 dicarboxylato manganese II dihydrate A combined experimental and theoretical study
Geometry Optimization Spectral Analysis Molecular Electrostatic Potential Surface and Nonlinear Optical Activity of 4 Methyl Anilinium Phenolsulfonate a DFT Study
The Synthesis Characterization Crystal Structure and Photophysical Properties of a New Meso BODIPY Substituted Phthalonitrile
Synthesis crystal structure spectroscopic characterization and nonlinear optical properties of Co II picolinate complex
Synthesis X ray structure spectroscopic characterization and nonlinear optical properties of Nickel II complex with picolinate A combined experimental and theoretical study
Comparative study of DFT B3LYP B3PW91 and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone
Synthesis structural and spectroscopic evaluations and nonlinear optical properties of 3 5 bis 4 methoxyphenyl 4 5 dihydro 1H pyrazole 1 carbothioic O acid
The effects of electronegative substituent atoms on structural vibrational electronic and NLO properties of some 4 nitrostilbene derivates
A theoretical study on structural spectroscopic electronic and electric properties of 4 chloro 4 nitrostilbene
Theoretical Investigation of N Methyl N 4 nitrobenzylidene pyrazine 2 carbohydrazide Conformational Study NBO Analysis Molecular Structure and NMR Spectra
The Synthesis, Characterization, Crystal Structure and Photophysical Properties of a New Meso-BODIPY Substituted Phthalonitrile
Theoretical investigation of N Methyl N 4 nitrobenzylidene pyrazine 2 carbohydrazide conformational Study NBO analysis molecular structure and NMR spectra
4 Metoksimetil 1 6 Dimetil 2 Okso 1 2 Dihidropiridin 3 Karbonitril Molekülünün Teorik Olarak İncelenmesi
Synthesis, spectroscopic characterization, second and third-order nonlinear optical properties, and DFT calculations of a novel Mn(II) complex
A theoretical study on 2 chloro 5 2 hydroxyethyl 4 methoxy 6 methylpyrimidine by DFT ab initio calculations
Synthesis X ray structure spectroscopic characterization and nonlinear optical properties of triaqua 1 10 phenanthroline 2 9 dicarboxylato manganese II dihydrate A combined experimental and theoretical study
Synthesis X ray structure spectroscopic characterization and nonlinear optical properties of triaqua 1 10 phenanthroline 2 9 dicarboxylato manganese II dihydrate A combined experimental and theoretical study
The Synthesis Characterization Crystal Structure and Photophysical Properties of a New Meso BODIPY Substituted Phthalonitrile
Synthesis X ray structure spectroscopic characterization and nonlinear optical properties of Nickel II complex with picolinate A combined experimental and theoretical study
Synthesis spectroscopic characterization second and third order nonlinear optical properties and DFT calculations of a novel Mn II complex
Synthesis X ray structure spectroscopic characterization and nonlinear optical properties of triaqua 1 10 phenanthroline 2 9 dicarboxylato manganese II dihydrate A combined experimental and theoretical study
Synthesis structural and spectroscopic evaluations and nonlinear optical properties of 3 5 bis 4 methoxyphenyl 4 5 dihydro 1H pyrazole 1 carbothioic O acid
Theoretical Investigation of N Methyl N 4 nitrobenzylidene pyrazine 2 carbohydrazide Conformational Study NBO Analysis Molecular Structure and NMR Spectra
Comparative study of DFT B3LYP B3PW91 and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone
The Synthesis, Characterization, Crystal Structure and Photophysical Properties of a New Meso-BODIPY Substituted Phthalonitrile
Synthesis X ray structure spectroscopic characterization and nonlinear optical properties of triaqua 1 10 phenanthroline 2 9 dicarboxylato manganese II dihydrate A combined experimental and theoretical study
The Synthesis Characterization Crystal Structure and Photophysical Properties of a New Meso BODIPY Substituted Phthalonitrile
A theoretical study on structural spectroscopic electronic and electric properties of 4 chloro 4 nitrostilbene
Synthesis X ray structure spectroscopic characterization and nonlinear optical properties of Nickel II complex with picolinate A combined experimental and theoretical study
A theoretical study on 2 chloro 5 2 hydroxyethyl 4 methoxy 6 methylpyrimidine by DFT ab initio calculations
Geometry Optimization Spectral Analysis Molecular Electrostatic Potential Surface and Nonlinear Optical Activity of 4 Methyl Anilinium Phenolsulfonate a DFT Study
Synthesis X ray structure spectroscopic characterization and nonlinear optical properties of triaqua 1 10 phenanthroline 2 9 dicarboxylato manganese II dihydrate A combined experimental and theoretical study
Synthesis structural and spectroscopic evaluations and nonlinear opticalproperties of 3 5 bis 4 methoxyphenyl 4 5 dihydro 1H pyrazole 1 carbothioic O acid
A theoretical study on structural spectroscopic electronic and electric properties of 4 chloro 4 nitrostilbene
Comparative Study of DFT B3LYP B3PW91 and HSEH1PBE Methods Applied to Molecular Structures Spectroscopic and Electronic Properties of Flufenpyr and Amipizone
1 Pentamethylbenzyl 3 nbuthylbenzimidazolesilver I bromide complex Synthesis characterization and DFT calculations
Theoretical Investigation of 6 3 3 4 4 4 Pentafluoro 2 Hydroxy 1 Butenyl 2 4 Dimethoxy Pyrimidine Molecule
Quantum chemical characterization of N 2 hydroxybenzylidene acetohydrazide HBAH A detailed vibrational and NLO analysis
Crystal structure and spectroscopic characterization of E 2 4 bromo 2 trifluoromethoxy phenyl imino methyl 4 nitrophenol A combined experimental and computational study
Quantum chemical calculations on the geometrical conformational spectroscopic and nonlinear optical parameters of 5 2 Chloroethyl 2 4 dichloro 6 methylpyrimidine
An experimental and theoretical study on the novel Z 1 naphthalen 2 ylamino methylene naphthalen 2 1H one crystal
Conformational spectroscopic and nonlinear optical properties of biologically active N N dimethyltryptamine molecule A theoretical study
Theoretical Investigation of 6 3 3 4 4 4 Pentafluoro 2 Hydroxy 1 Butenyl 2 4 Dimethoxy Pyrimidine Molecule
Calculations of Electronic Structure and Nonlinear Optical Parameters of 4 Methoxybenzaldehyde N Methyl 4 Stilbazolium Tosylate
Theoretical analysis on structural spectroscopic and electronic properties of some 2 aminobenzimidazole complexes by using PBE1PBE B3LYP and HF methods
Theoretical investigations on nonlinear optical and spectroscopic properties of 6 3 3 4 4 4 pentafluoro 2 hydroxy 1 butenyl 2 4 pyrimidinedione An efficient NLO material
An experimental and theoretical study on the novel Z 1 naphthalen 2 ylamino methylene naphthalen 2 1H one crystal
The synthesis characterization and theoretical study on nicotinic acid 1 2 3 dihydroxyphenyl methylidene hydrazide
An experimental and theoretical study on the novel (Z)-1-((naphthalen-2-ylamino)methylene)naphthalen-2(1H)-one crystal
Crystal structure and spectroscopic characterization of E 2 4 bromo 2 trifluoromethoxy phenyl imino methyl 4 nitrophenol A combined experimental and computational study
The synthesis characterization and theoretical study on nicotinic acid 1 2 3 dihydroxyphenyl methylidene hydrazide
Quantum chemical characterization of N 2 hydroxybenzylidene acetohydrazide HBAH A detailed vibrational and NLO analysis
Conformational spectroscopic and nonlinear optical properties of biologically active N N dimethyltryptamine molecule A theoretical study
Crystal structure and spectroscopic characterization of E 2 4 bromo 2 trifluoromethoxy phenyl imino methyl 4 nitrophenol A combined experimental and computational study
Theoretical Investigation of 6 3 3 4 4 4 Pentafluoro 2 Hydroxy 1 Butenyl 2 4 Dimethoxy Pyrimidine Molecule
Structural and Spectroscopic Characterization of 1 5 Bromothiophen 2 yl 3 4 nitrophenyl prop 2 en 1 one An Analysis of Electronic and NLO Properties
An experimental and theoretical study on the novel Z 1 naphthalen 2 ylamino methylene naphthalen 2 1H one crystal
An experimental and theoretical study on the novel Z 1 naphthalen 2 ylamino methylene naphthalen 2 1H one crystal
1 Pentamethylbenzyl 3 nbuthylbenzimidazolesilver I bromide complex Synthesis characterization and DFT calculations
Quantum chemical calculations on the geometrical conformational spectroscopic and nonlinear optical parameters of 5 2 Chloroethyl 2 4 dichloro 6 methylpyrimidine
Effects of donor acceptor groups on the structural and electronic properties of 4 methoxymethyl 6 methyl 5 nitro 2 oxo 1 2 dihydropyridine 3 carbonitrile
Conformational, spectroscopic and nonlinear optical properties of biologically active N,N-dimethyltryptamine molecule: A theoretical study
Crystal structure and spectroscopic characterization of (E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol: A combined experimental and computational study
The synthesis, characterization and theoretical study on nicotinic acid [1-(2,3-dihydroxyphenyl)methylidene]hydrazide
Theoretical investigations on nonlinear optical and spectroscopic properties of 6 3 3 4 4 4 pentafluoro 2 hydroxy 1 butenyl 2 4 pyrimidinedione An efficient NLO material
Effects of donor acceptor groups on the structural and electronic properties of 4 methoxymethyl 6 methyl 5 nitro 2 oxo 1 2 dihydropyridine 3 carbonitrile
Quantum chemical calculations on the geometrical conformational spectroscopic and nonlinear optical parameters of 5 2 Chloroethyl 2 4 dichloro 6 methylpyrimidine
Crystal structure and spectroscopic characterization of E 2 4 bromo 2 trifluoromethoxy phenyl imino methyl 4 nitrophenol A combined experimental and computational study
Quantum chemical characterization of N 2 hydroxybenzylidene acetohydrazide HBAH A detailed vibrational and NLO analysis
An experimental and theoretical study on the novel Z 1 naphthalen 2 ylamino methylene naphthalen 2 1H one crystal
Synthesis and theoretical calculations of carbazole substituted chalcone urea derivatives and studies their polyphenol oxidase enzyme activity
Theoretical investigation of 5 2 Acetoxyethyl 6 methylpyrimidin 2 4 dione Conformational study NBO and NLO analysis molecular structure and NMR spectra
NLO and NBO Analysis of Sarcosine Maleic Acid by Using HF and B3LYP Calculations
Ab initio calculations on adipic acid
Quantum chemical computational studies on bis thiourea zinc acetate
Theoretical investigation of 5 2 Acetoxyethyl 6 methylpyrimidin 2 4 dione Conformational study NBO and NLO analysis molecular structure and NMR spectra
NLO and NBO Analysis of Sarcosine Maleic Acid by Using HF and B3LYP Calculations
Quantum chemical computational studies on bis thiourea zinc acetate
SPECTROSCOPIC STUDY NLO PROPERTIES AND HOMO LUMO ANALYSIS ON DIFFERENT DONOR AND ACCEPTOR SUBSTITUENTS OF THIAZOLYLAZOPYRIMIDINE CHROMOPHORES
Theoretical investigation of 5 2 Acetoxyethyl 6 methylpyrimidin 2 4 dione Conformational study NBO and NLO analysis molecular structure and NMR spectra
NLO and NBO Analysis of Sarcosine Maleic Acid by Using HF and B3LYP Calculations
NLO and NBO Analysis of Sarcosine Maleic Acid by Using HF and B3LYP Calculations
Quantum chemical computational studies on bis thiourea zinc acetate
Molecular structure vibrational spectra NLO and NBO analysis of bis 8 oxy 1 methylquinolinium hydroiodide
Quantum chemical computational studies on bisthiourea zinc chloride
Theoretical investigation of the molecular structure and NMR spectra of N methyl 1H indole 2 carboxamide
Molecular structure vibrational spectra NLO and NBO analysis of bis 8 oxy 1 methylquinolinium hydroiodide
Theoretical studies on molecular structure and vibrational spectra of 8 hydroxyquinolinium picrate
Theoretical studies on molecular structure and vibrational spectra of 8 hydroxyquinolinium picrate
A theoretical study on 5 chloro 8 hydroxyquinolinium nitrate
A theoretical study on 5 4 chlorophenyl 1H tetrazole
A THEORETICAL STUDY ON 5 CHLORO 8 HYDROXYQUINOLINIUM NITRATE
A THEORETICAL STUDY ON 5 4 CHLOROPHENYL 1H TETRAZOLE
DFT Calculations on the Molecular Structure Vibrational and ChemicalShift Assignments of4 Allyl 2 morpholin 4 ylmethyl 5 pyridin 4 yl 2 4 Dihydro 3H 1 2 4 Triazole 3 Thione
L Asparaginyum pikrat molekülünün spektroskopik özelliklerinin teorik olarak incelenmesi
Ab initio HF and DFT calculations on an organic non linear optical material
Experimental and theoretical study of 4 cyanobenzaldehyde isonicotinoyl hydrazone monohydrate
Molecular structure and vibrational and chemical shift assignments of 3 5 bis 4 methylbenzoyl 2 6 bis 4 methylphenyl 4H pyran 4 one A combined experimental and theoretical analysis
Ab initio HF and DFT calculations on an organic non linear optical material
Molecular structure and vibrational and chemical shift assignments of 3 2 Hydroxyphenyl 4 phenyl 1H 1 2 4 triazole 5 4H thione by DFT and ab initio HF calculations
MOLECULAR STRUCTURE VİBRATİONAL SPECTRA AND CHEMİCAL SHİFT PROPERTİES OF ETHYL 6 CHLORO 2 OXO 2H CHROMENE 3 CARBOXYLATE AND ETHYL 6 BROMO 2 OXO 2H CHROMENE 3 CARBOXYLATE CRYSTALS BY DFT AND AB İNİTİO HF
Theoretical Studies of Molecular Structure and Vibrational Spectra of Asymmetric Squaraine 2 dimethylamino 4 anilino squaraine
Calculated on1H and 13C NMR chemical shifts of 2 4 difluorobenzaldehyde isonicotinoylhydrazone and 2 3 dichlorobenzaldehyde isonicotinoylhydrazone with GIAO IGAIM and CSGT models
Vibrational and chemical shift assignments of 1 Bromo2 6 dihydroxybenzene C6H5BrO2 by DFT and ab initio HF calculations
Molecular structure vibrational spectra and chemical shift properties of C12H9ClO4 and C12H9BrO4 crystals by Density Functional Theory and ab initio Hartree Fock calculations
Molecular Structure, Vibrational Spectra and Chemical Shift Properties of C12H9ClO4 and C2H9BrO4 Crystals by Density Functional Theory and ab initio Hartree-Fock Calculations
Dielectrical Properties of a Novel Porcelain Produced from Natural Clay Waste Glass and Fly Ash
Molecular structure and vibrational and chemical shift assignments of 3 2 Hydroxyphenyl 4 phenyl 1H 1 2 4 triazole 5 4H thione by DFT and ab initio HF calculations
Molecular structure and vibrational and chemical shift assignments of 5 2 Hydroxyphenyl 4 p tolyl 2 4 dihydro 1 2 4 triazole 3 thione by DFT and ab initio HF calculations
Ab initio Hartree Fock calculations on linear and second order nonlinear optical properties of new acridine benzothiazolylamine chromophores
Molecular structure and vibrational and chemical shift assignments of5 2 Hydroxyphenyl 4 p tolyl 2 4 dihydro 1 2 4 triazole 3 thione byDFT and ab initio HF calculations
E E S S bis 2 benzimidazolylmethyl dithioglyoxime synthesis and characterization of heterotrinuclear complexes of and determination of their metal contents by EDXRF analysis
Molecular structure and vibrational and chemical shift assignments of 2 8 dihydroxy 1 methoxy p menthane by dft and ab initio hf calculations
JOURNAL OF ORGANOMETALLIC CHEMISTRY
Determination and analysis of the dispersive optical constants of the 5 5 6 6 tetraphenyl 2 2 bi 1 3 dithiolo 4 5 b 1 4 dithiinylidene DDQ complex thin film
Molecular structure IR and NMR spectra of 2 6 distyrylpyridine by density functional theory and ab initio Hartree Fock calculations
Determination and analysis of the dispersive optical constants of the 5 5 6 6 tetraphenyl 2 2 bi 1 3 dithiolo 4 5 b 1 4 dithiinylidene DDQ complex thin film
Density Functional Theory and ab initio Hartree Fock Calculations of Molecular Structure and Vibrational Spectra of Anilinium Nitrate
MOLECULAR STRUCTURE AND VİBRATİONAL ASSİGNMENT OF MELAMİNİUM PHTHALATE BY DENSİTY FUNCTİONAL THEORY DTF AND AB İNİTİO HARTREE FOCK HF CALCULATİONS
Linear and non linear optical properties of some donor acceptor oxadiazoles by ab initio Hartree Fock calculations
Density Functional Theory and ab initio Hartree Fock Calculations of Molecular Structure and Vibrational Spectra of Anilinium Nitrate
Molecular structure and vibrational assignment of melaminium phthalate by density functional theory DFT and ab initio Hartree Fock HF calculations
Molecular structure and vibrational and chemical shift assignments of 5 2 Hydroxyphenyl 4 p tolyl 2 4 dihydro 1 2 4 triazole 3 thione by DFT and ab initio HF calculations
Linear and non linear optical properties of some donor acceptor oxadiazoles by ab initio Hartree Fock calculations
Ab initio Hartree Fock calculations on linear and second order nonlinear optical properties of new acridine benzothiazolylamine chromophores
Determination and analysis of the dispersive optical constants of the 5 5 6 6 tetraphenyl 2 2 bi 1 3 dithiolo 4 5 b 1 4 dithiinylidene DDQ complex thin film
A theoretical study on 1 thiophen 2 yl methyl 2 thiophen 2 yl 1H benzimidazole
Theoretical studies of molecular structure and vibrational spectra of melaminium citrate
A theoretical study on N phenyl N 2 thienylmethylene hydrazine
A theoretical study on 1 thiophen 2 yl methyl 2 thiophen 2 yl 1H benzimidazole
A theoretical study on N phenyl N 2 thienylmethylene hydrazine
A theoretical study on1 thiophen 2 yl methyl 2 thiophen 2 yl 1H benzimidazole
Theoretical studies of molecular structure and vibrational spectra of melaminium citrate
Vibrational spectra and molecular structure of chiral and racemic 4 phenyl 1 3 oxazolidin 2 one by density functional theory and ab initio Hartree Fock calculations
Theoretical studies of molecular structure and vibrational spectra of glutaconic acid
Atalay Y Sancak K Avci D Computational note on theoretical studies of ethene 1 1 2 2 tetrayltetramethylene tetrathiocyanate JOURNAL OF MOLECULAR STRUCTURE THEOCHEM vol 774 pp 33 34 2006
Computational note on theoretical studies of ethene 1 1 2 2 tetrayltetramethylene tetrathiocyanate
Theoretical studies of molecular structure and vibrational spectra of glutaconic acid
Molecular structure and vibrational spectra of melamine diborate by density functional theory and ab initio Hartree Fock calculations
Determination of the optical constants of2 amino 5 phenyl 1 3 4 thiadiazole by Hartree Fock and densityfunctional method B3LYP
Molecular structure and vibrational spectra of melamine diborate by density functional theory and ab initio Hartree Fock calculations
Molecular structure and vibrational spectra of melamine diborate by density functional theory and ab initio Hartree Fock calculations
Measurements of Ll L L L and L X ray fluorescence cross sections in 70 Z 92 elements excited by 59 543keV photons
Measurements of L l L alpha L eta L beta and L gamma X rayfluorescence cross sections in 70 Z 92 elements excited by 59 543keV photons
Comparative study of DFT B3LYP B3PW91 and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone
BİLDİRİLER
Spectroscopic and non-linear optical investigations for a polycyclic organic compound by using DFT methods
SPECTROSCOPIC AND NON-LINEAR OPTICAL INVESTIGATIONS FOR A POLYCYCLIC ORGANIC COMPOUND BY USING DFT METHODS
DFT calculations on structural, spectroscopic and non-linear optical parameters of Diiodobis(2-aminopyridine)Cadmium(II)
DFT calculations on structural, spectroscopic and non-linear optical parameters of Diiodobis(2-aminopyridine)Cadmium(II)
TEK KATMANLI INBİ VE DOPAMİN MOLEKÜLÜNÜN ETKİLEŞİMİNİN MODELLENMESİ
DFT Investigations on The Potential NLO Chromophores Containing the 2-Phenyl-6-Nitrobenzimidazole Group
Theoretical Calculations on Structural, Spectroscopic and Non-Linear Optical Parameters of Molecules Containing 2-Aryl Group
A Study On Spectroscopic and Nonlinear Optical Properties of [Li(C8H5Cl2O2)(C12H8N2)(H2O)]
A Study on Nonlinear Optical Properties and Spectroscopic of L-Pronilium Picrate
Theoretical investigation on structural spectroscopic and nonlinear optical properties of 3 4 chlorophenyl 1 pyridin 3 yl prop 2 en 1 one molecule
SYNTHESIS, SPECTRAL CHARACTERIZATION, GLUCOSIDASE INHIBITION AND TD/DFT STUDY OF THE Ni(II) COMPLEXES
SYNTHESIS, CRYSTAL STRUCTURE, DFTCALCULATIONS, MOLECULAR DOCKING AND α–GLUCOSIDASE INHIBITION STUDY OF THE Zn (II)COMPLEX
SYNTHESIS, CRYSTAL STRUCTURE, SPECTRAL CHARACTERIZATION, α–GLUCOSIDASE INHIBITION AND TD/DFT STUDY OF THE Cu (II) COMPLEX
SYNTHESIS, CRYSTAL STRUCTURE, DFT CALCULATIONS, MOLECULAR DOCKING AND α–GLUCOSIDASE INHIBITION STUDY OF THE Zn (II) COMPLEX
Experimental and DFT/TD-DFT study on 4-(4-Nitrobenzyl)pyridine
Theoretical investigation on 2-chloro-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
SYNTHESIS, CRYSTAL STRUCTURE, DFT CALCULATIONS, MOLECULAR DOCKING AND α–GLUCOSIDASE INHIBITION STUDY OF THE Zn (II) COMPLEX
SYNTHESIS, CRYSTAL STRUCTURE, SPECTRAL CHARACTERIZATION, α–GLUCOSIDASE INHIBITION AND TD/DFT STUDY OF THE Cu (II) COMPLEX
1H–pyrazole–3–carboxylIc acId: EXPERIMENTAL AND COMPUTATIONAL STUDY
CADMIUM (II) COMPLEX WITH 1H–PYRAZOLE–3–CARBOXYLIC ACID: A DFT STUDY
Conformational analysis and h-DFT study of N,N’- phenylene-diylbis[3-(1-aminoethyl)-6-methyl-2H-pyran-2,4(3H)-dione]
Density functional theory calculations on spectroscopic and electrical properties of N,N’- propylene-diylbis[3-(1-aminoethyl)-6-methyl-2H-pyran-2,4(3H)-dione]: a potential nonlinear optical material
DFT Calculations of Hybrid Compound Based on Curcumin and Thalidomide for Multiple Myeloma
L-histidine maleate üzerinde teorik bir çalışma
The First Zn(II) Complex of 4-Methoxypicolinic Acid: Synthesis, Crystal Structure and IR spectrum
1H–PYRAZOLE–3–CARBOXYLIC ACID:EXPERIMENTAL AND COMPUTATIONAL STUDY
CADMIUM (II) COMPLEX WITH 1H–PYRAZOLE–3–CARBOXYLIC ACID: A DFT STUDY
Optimized geometry, spectroscopic (IR, UV-Vis and NMR) characterization and nonlinear optical properties of 4-(4-methoxy-2-nitrophenylamino)-4-oxobutanoic acid A DFT study
A density functional theory study on geometric, spectroscopic and electronic properties of BTPCA
5-Methyl-2-thiophenecarboxaldehyde: Experimental and TD/DFT study
Experimental and computational study on furan-3-methanol
The Theoretical and Crystallographic Studies on (E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol
The First Zn(II) Complex of 4-Methoxypicolinic Acid: Synthesis, Crystal Structure and IR spectrum
QUANTUM CHEMICAL CALCULATIONS OFGLYCINE GLUTARIC ACID
DENSITY FUNCTIONAL THEORY CALCULATIONSON 2E 3 3 BROMO 4 METHOXYPHENYL 1 PYRIDIN 2 YL PROP 2 EN 1 ONE
SPECTROSCOPIC PROPERTIES OF 2 TRIFLUOROMETHYL BENZOIC ACID EXPERIMENTALAND COMPUTATIONAL STUDY
QUANTUM MECHANICAL CALCULATIONS ONL ALANINIUM MALEATE LAM
DFT CALCULATIONS ON SPECTROSCOPIC STRUCTURAL AND NLO PROPERTIES OF SILVER
SPECTROSCOPIC PROPERTIES OF 2–(TRIFLUOROMETHYL)BENZOIC ACID: EXPERIMENTAL AND COMPUTATIONAL STUDY
THEORETICAL AND EXPERIMENTAL STUDIES ON REFRACTIVE INDEX AND POLARIZABILITY FOR A CO (II) COMPLEX
SPECTROSCOPIC PROPERTIES OF 2 TRIFLUOROMETHYL BENZOIC ACID EXPERIMENTALAND COMPUTATIONAL STUDY
DENSITY FUNCTIONAL THEORY CALCULATIONSON 2E 3 3 BROMO 4 METHOXYPHENYL 1 PYRIDIN 2 YL PROP 2 EN 1 ONE
DFT CALCULATIONS ON SPECTROSCOPIC STRUCTURAL AND NLO PROPERTIES OF SILVER I COMPLEX WITH PICOLINAMIDE
3 NİTROANİLİNYUM TRİKLOROASETAT BİLEŞİĞİNİN TEORİK ARAŞTIRMALARI
DFT CALCULATIONS ON STRUCTURAL, SPECTROSCOPIC AND NLO PARAMETERS OF 4−AMINOPYRIDINIUM MONOPHTHALATE
A THEORETICAL STUDY ON N Z 4 METHYLPHENYL METHYLIDENE 4 NITROBENZOHYDRAZIDE NMPMN
Quantum Mechanical Calculations On L Alaninium Maleate LAM
Geometry Optimization Spectroscopic Characterization and Nonlinear Optical Properties of Dimethylammonium 4 Nitrobenzoate A DFT Study
SPECTROSCOPIC PROPERTIES OF 2 TRIFLUOROMETHYL BENZOIC ACID EXPERIMENTAL AND COMPUTATIONAL STUDY
DFT CALCULATIONS ON SPECTROSCOPIC STRUCTURAL AND NLO PROPERTIES OF SILVER I COMPLEX WITH PICOLINAMIDE
QUANTUM MECHANICAL CALCULATIONS ONL ALANINIUM MALEATE LAM
QUANTUM CHEMICAL CALCULATIONS OF GLYCINE GLUTARIC ACID
A theoretical study on 2 amino 5 nitroprydinium trifluoroaceta
The nonlinear optical properties and electronic transitions of thienylpyrroles containing chromophores A DFT study
The nonlinear optical properties and electronic transitions of thienylpyrroles containing chromophores A DFT study
A Theoretical Study On 2 amino 5 nitroprydinium trifluoroaceta
DFT calculations on spectroscopic and structural properties of a NLO chromophore
The second– and third– order nonlinear optical properties and electronic transition of a NLO chromophore: A DFT study
A combined crystallographic spectroscopic and computational study of novel cobalt II complex
Synthesis and IR Raman and EPR spectra of Manganese II complex An experimental and theoretical study
A combined crystallographic spectroscopic and computational study of novelcobalt II complex
The Second and Third Order Nonlinear Optical Properties and Electronic Transition of a NLO Chromophore A DFT Study
The nonlinear optical properties and electronic transitions of thienylpyrroles containing chromophores A DFT study
Quantum Mechanical Calculations On Cis 2 6 Bis 2 Chlorophenyl 3 3 Dimethylpiperidin 4 One
A Theoretical Study On 3 4 Methoxyphenyl 1 Pyridin 2 Yl Prop 2 En 1 One
The theoretical and crystallographic studies on (E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol
A Theoretical Study On 3-(4-Methoxyphenyl)-1-(Pyridin-2-Yl) Prop-2-En-1-One
Quantum mechanical calculations on cis-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one
The second– and third– order nonlinear optical properties and electronic transition of a NLO chromophore: A DFT study
The nonlinear optical properties and electronic transitions of thienylpyrroles containing chromophores A DFT study
A Theoretical Study On 2 amino 5 nitroprydinium trifluoroaceta
Quantum Mechanical Calculations On Cis 2 6 Bis 2 Chlorophenyl 3 3 Dimethylpiperidin 4 One
The Second and Third Order Nonlinear Optical Properties and Electronic Transition of a NLO Chromophore A DFT Study
A Theoretical Study On 3 4 Methoxyphenyl 1 Pyridin 2 Yl Prop 2 En 1 One
DFT CALCULATIONS ON SPECTROSCOPIC AND STRUCTURAL PROPERTIES OF A NLO CHROMOPHORE
Synthesis structural spectroscopic and nonlinear optical properties of new picolinate complex of manganese II ion
Synthesis spectroscopic characterization and spin density calculations for a novel Mn II Complex
A combined crystallographic spectroscopic and computational study of novel cobalt II complex
Synthesis and IR Raman and EPR spectra of Manganese II complex An experimental and theoretical study
STRUCTURAL AND SPECTROSCOPIC INVESTIGATIONS ON 4-CARBAMOYLPIPERIDINIUM 5-NITROSALICYLATE USING PBE1PBE LEVEL
Theoretical investigation on Specroscopic andelectric properties of 1 2 thiophen 3 2 3 5 trichlorophenyl 2 propen 1 one TTNP
QUANTUM CHEMICAL CALCULATIONS OF 2-C-[(1R)-AMINOETHYL]-1,4:3,6-DIANHYDROMANNITOL: A DETAILED VIBRATIONAL ASSIGNMENT
Specroscopic structural and nonlinear optical investigations on 1 E 4 morpholin 4 yl phenyl iminio methyl naphthalen 2 ol A theoretical study
Structural and spectroscopic investigations on 4 carbamoylpiperidinium 5 nitrosalicylate using PBE1PBE level
A theoretical study on; 4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1,2- dihydropyridine- 3-carbonitrile molecule
Quantum Chemical Calculations of 2-c-[(1r)-aminoethyl]-1,4:3,6- dianhydromannitol:A detailed vibrational assignment
A THEORETICAL STUDY ON; 4-(METHOXYMETHYL)-1,6-DIMETHYL-2-OXO-1,2- DIHYDROPYRIDINE-3-CARBONITRILE MOLECULE
QUANTUM CHEMICAL CALCULATIONS OF 2-C-[(1R)-AMINOETHYL]-1,4:3,6-DIANHYDROMANNITOL: A DETAILED VIBRATIONAL ASSIGNMENT
A THEORETICAL STUDY ON; 4-(METHOXYMETHYL)-1,6-DIMETHYL-2-OXO-1,2- DIHYDROPYRIDINE-3-CARBONITRILE MOLECULE
Spectroscopic studies potential energy surface and molecular orbital calculations of N methyl N 2 nitrobenzylidene pyrazine 2 carbohydrazide
A theoretical study on the N benzylidene N methylpyrazine 2 carbohydrazide
Quantum Chemical Calculations of 10-(2-Hydroxyethyl)acridin—(10H)-one:A DFT Study
First hyperpolarizability and HOMO LUMO analysis of azo chromophore containing compounds
The nonlinear optical properties and electronic transitions of benzimidazole pyrrole and thienyl containing chromophores
DFT calculations on the spectroscopic and structural parameters of Donor Acceptor groups containing chromophores
QUANTUM CHEMICAL CALCULATIONS ON 1 HYDROXY 1H BENZO D 1 2 6 OXAZABORININ4 3H ONE
SPECTROSCOPIC AND STRUCTURAL PROPERTIES OF 9 DEAZAHYPOXANTHINE COMPOUND AN EFFICENT NLO MATERIAL
STUCTURAL SPECTROSCOPIC AND NLO ANALYSIS ON 2 TOLUENE 4 SULFONYLAMINO BENZOIC ACID
STRUCTURAL AND SPECTROSCOPIC INVESTIGATIONS ON LCYSTEINIUM SEMIOXALATE USING B3LYP LEVEL
Quantum chemical calculations of structural and spectroscopic properties of azo chromophore containing compounds A detailed vibrational study
Structural, Spectroscopic and NLO analysis on 2-(Toluene-4 sulfonylamino)-benzoic acid
First hyperpolarizability and HOMO LUMO analysis of azo chromophore containing compounds
Examination of the structure of N 2 methoxybenzylidene N methylpyrazine 2 carbohydrazide by means of theoretical molecular structure IR NMR and HOMO LUMO analysis
Quantum chemical calculations on 1 hydroxy 1H benzo D 1 2 6 oxazaborinin4 3H one
Spectroscopic studies potential energy surface and molecular orbital calculations of N methyl N 2 nitrobenzylidene pyrazine 2 carbohydrazide
Structural and spectroscopic investigations on lcysteinium semioxalate using B3LYP level
Structural spectroscopic and NLO analysis on 2 toluene 4 sulfonylamino benzoic acid
Theoretical investigation of the molecular structure IR and NMR spectra of 2 2 methylenedi 8 quinolinol dihydrochloride dihydrate
N 3 tert butyl 1 phenyl 1H pyrazol 5 yl N 4 methoxybenzyl acetanide C23H27N3O2 molecule
Nonlinear optical properties and molecular parameters of 4 cyanobenzaldehyde isonicotinoylhydrazone monohydrate A theoretical study
Theoretical calculation of 6 4 fluorophenyl 8 phenyl 2 3 dihydro 4H imidazo 5 1 B 1 3 thiazin 4 one compound including geometric optimization vibrational assignmnet and chemical shifts and t he NLO properties via B3LYP and HF methods
Ab Initio HF and DFT Calculations on Nonlinear Optical Properties Ab Initio HF and DFT Calculations on Nonlinear Optical Properties and Molecular Parameters of Thiazolylazopyrimidine Chromophores
Theoretical Investigation of Bıs Thiourea Zinc Acetate Btza IR and Raman Spectra Conformational Nbo and Nlo Analysis
Bisthiourea Zinc Chloride BTZC üzerine kuantum kimyasal çalışmalar
A quantum chemical studies on the Bisthiourea Zinc Chloride BTZC
DFT Calculations on Nonlinear Optical and Spectroscopic Properties of Free BzMAG3 and CysM Ligands and in the Au BzMAG3 and Au CysM Composites
Molecular Structure of L 2 Nitrimino 1 3 Diazepane 4 Carboxylic Acid by DFT and Ab Initio HF Calculations
Theoretical Investigation of the Molecular Structure and NMK Spectra of N MENTHYL 1H INDOLE 2 CARBOXAMIDE
A Theoretical Study on Quinoline 2 Carboxylic Acid Quinolinium 2 Carboxylate
A Theoretical Study on 5 4 Chlorophenyl 1H Tetrazole
A Theoretical Spectroscopic Study on Ninhydrin Crystal
A Theoretical study on E 1 2 hydroxphenyl propan 2 one o methyloxime C10H13NO2 molecule
A theoretical study on E 1 2 hydroxyphenyl propan 2 one O methyloxime C10H13NO2 molecule
A theoretical spectroscopic study on ninhydrin crystal
A Theoretical Spectroscopic Study On Ninhydrin Crystal
Structure and spectroscopic parameters of 11 methyl 2 3 benzodipyrrın 1 one
Studies on 2 tolüene 4 sulfonylamino benzoic acid Structure spectroscopic properties
Theoretical studies of molecular structure and vibrational spectra of 4 nitro 2 E 2 piperidin 1 yl ethyl iminomethyl phenol
Theoretical Studies of Molecular Structure and Vibrational Spectra of 5 aminolevulinic Acid
Structure and Spectroscopic Parameters of 11 methyl 2 3 benzodipyrrin 1 one
Molecular Structure and Chemical Shift Assignments of 4 2 Methoxy 4 Methylphenoxy Phthalonitrile C16H12N2O2 by DFT and Ab Initio HF Calculations
Vibrational and Chemical Shift Assignments of 1 Bromo2 6 Dihydroxybenzene C6H5BrO2 by DFT and Ab Initio HF Calculations
Molecular Structure and Chemical Shift Assignments of Pyrrole 2 Carbaldehyde Isonicotinolyl Hydrazone Monohydrate C11H10N4O H2O by DFT and Ab Initio HF Calculations
A theoretical study on an organic NLO material
Molecular Structure and Vibratıonal Spectra of Chiral and Racemic 4 Phenyl 1 3 Oxazolidine 2 Thione 4 POT by Density Functional Theory and Ab Initio Hartree Fock Calculations
A theoretical study of molecular structure and vibrational spectra of Glyoxal 4 nitrophenylhydrazone C8H7N3O3 by HF and DFT methods
Molecular Structure and Vibratıonal Spectra off Chiral and Racemic 4 Phenyl 1 3 Oxazolidine 2 Thione 4 POT by Densıty Functıonal Theory and Ab Inıtıo Hartree Fock Calculatıons
A theoretical study on an organic NLO material
1 4 metilfenilimino metil 2 hidroksi 3 metoksifenol Molekülünün Geometrik Yapısının ve Spektroskopik Özelliklerinin Teorik Olarak İncelenmesi
1 4 klorofenilimino metil 2 hidroksi 3 metoksifenol Molekülünün Geometrik Yapısının ve Kimyasal Kayma Değerlerinin Teorik Olarak İncelenmesi
A theoretical study on new acridine benzothiazolylamine chromophores
A Theoretical Study on New Acridine Benzothiazolylamine Chromophores
A theoretical study on adipic acid
A theoretical spectroscopic analysis of glutaric acid
A theoretical spectroscopic analysis of glutaric acid
A theoretical study on molecular structure and vibrational spectra of anilinium nitrate
A theoretical study on adipic acid
1 nitroimidazolidin 2 bir molekülünün geometrik yapısının incelenmesi
2 nitro 1 üreidoguanidin molekülünün geometrik yapısının incelenmesi
1 tiyofen 2 ilmetil 2 tiyofen 2 il 1H benzimidazol molekülünün yapısal özelliklerinin ve titreşim frekanslarının incelenmesi
4 2 izopropil 5 metilfenoksi ftalonitril molekülünün molekül yapısının ve titreşim frekanslarının incelenmesi
3 5 Difenil 4 3 4 5metoksibenzilidenamino 4H 1 2 4 ttriazol molekülünün molekül yapısının ve titreşim frekanslarının incelenmesİ
1 nitroimidazolidin 2 bir molekülünün geometrik yapısının incelenmesi
4 5 bis 2 isopropyl 5 methylphenoxy phthalonitrile molekülünün molekül yapısının ve titreşim frekanslarının incelenmesi
4 2 izopropil 5 metilfenoksi ftalonitril molekülünün molekül yapısının ve titreşim frekanslarının incelenmesi
Moleculer Structure And Vibration Spectra Of Anhydrous Magnesium Acetate By Density Functional Theory And Ab Initio Hatree Fock Calculations
Molecular structure and vibration spectra of anhydrous zinc acetate and anhydrous magnesium acetate by density functional theory and AB initio Hartree Fock calculations
A theoretical spectroscopic studies on a divalent metal salt of p aminobenzoi acid ABA M by density functional theory and AB initio Hartree Fock calculations
Spectroscopic and Structual Studies on Some Divalent Metal Salt of P Aminobenzoic Acid Aba Mg Tetracyanonickelate Complexes
Spectroscopic and Structual Studies on Some Divalent Metal Salt of P Aminobenzoic Acid Aba Mg Tetracyanonickelate Complexes
Theoretıcal Spectroscopıc Studıes on A Dıvalent Metal Salt of P Amınobenzoıc Acıd Aba M By Densıty Functıonal Theory and ab Inıtıo Hartree Fock Calculatıons
Molecular Structure and Vibration Spectra of Anhyanhydrous Zinc Acetate and Anhydrous Magnesium Acetate by Density Functional Theory and ab Initio Hartree Fock Calculations
EDİTÖRLÜK VE HAKEMLİK
RESEARCH INTERNATIONAL JOURNAL OF PHYSICS AND MATHEMATICAL SCIENCES
ARAŞTIRMA PROJELERİ
Yeni 6-metilpiridin-2-karboksilik asit içeren karışık ligantlı farklı metal komplekslerin sentezi, yapılarının detaylı analizi ve α-glukozidaz enzim inhibisyonunun in vitro incelenmesi
Ultra İnce Fept/CoO Filmlerde Exchange Bias Etkisinin Araştırılması
Geçiş Metalleri İçeren Koordinasyon Komplekslerinin Sentezlenmesi, Yapılarının Analizi ve Doğrusal Olmayan Optik Özelliklerinin İncelenmesi (Hızlı Destek Projesi)
Yeni 1 3 Tiyazolidin 2 4 Dikarboksilik Asit Komplekslerinin Sentezi Yapılarının Aydınlatılması Lineer Olmayan Optik Özellikleri ve Uyarılmış Seviye Elektronik Özelliklerinin Modellenmesi
Bir p kloranil Molekülünün Geometrik Spektroskopik ve Optik Yapısının Teorik Olarak İncelenmesi
UZMANLIK ALANLARI
Atom, Molekül ve Lazer Fiziği ,Spektroskopi ,Genel Fizik