DFT (14)
XRD (8)
Docking (4)
Frequency-dependent hyperpolarizability (4)
Crystal structure (3)
DFT levels (3)
Hyperpolarizability (3)
NLO (3)
Pyridine-2-carboxylic acid derivative (3)
Zn(II) complex (3)
4-methoxypyridine-2-carboxylic acid (2)
6-methylpyridine-2-carboxaldehyde (2)
6-Methylpyridine-2-carboxylic acid (2)
alpha-Glucosidase (2)
crystal structure (2)
DFT calculations (2)
FT-IR and UV-Vis (2)
Metal ions (2)
powder XRD, FTIR and UV-Vis (2)
Pyrazole (2)
Schiff base (2)
static/dynamic NLO (2)
α (1)
2, 2'-bipyridyl (1)
2,2 '-dipyridylamine (1)
3-/6-Methylpicolinic acid (1)
4-Chloro-Pyridine-2-Carboxylic acid (1)
5-Difluoropyridine-2-carboxylic acid (1)
6-Bromopicolinic acid (1)
6-Bromopyridine-2-carboxylic acid (1)
6-Chloropicolinic acid (1)
6-fluoropyridine-2-carboxylic acid (1)
6-fluoro-pyridine-2-carboxylic acid (1)
8E4T (1)
Ag(I) complex (1)
alpha-glucosidase and alpha-amylase (1)
alpha-glucosidase inhibition (1)
alpha-glucosidase/docking (1)
Atomic absorption spectrometry (1)
azide (1)
Azide (1)
B3LYP (1)
CDK8 inhibition (1)
Chalcone derivative (1)
Charge transfer compounds (1)
Co(II) complex (1)
Concentration (1)
Copper complex (1)
Cu/Hg/Cd/Ag/Zn ions (1)
Curcumin (1)
DBHDE (1)
Dc-Kerr effect and EFSHG (1)
density functional calculations (1)
DFT//CAM-B3LYP/omega B97XD (1)
DFT//HSEh1PBE (1)
DFT/HSEh1PBE (1)
DFT/M06-L and omega B97XD (1)
DFT/M06-L, CAM-B3LYP, HSEh1PBE levels (1)
electronic spectra (1)
ELF-LOL (1)
Flavonol (1)
Fluorescence (1)
Frequency dependent NLO (1)
frequency-dependent NLO (1)
Frequency-dependent NLO (1)
FT-IR (1)
FT-IR and UV– (1)
FT-IR and UV-is (1)
FT-IR and UV-Vis spectra (1)
FT-IR and UV-Vis Spectra (1)
-Glucosidase (1)
HOMO (1)
HSEh1PBE (1)
IR and NMR (1)
IR and UV-Vis (1)
LANL2DZ (1)
LUMO (1)
Manganese (1)
metal ions (1)
Mn(II) and Co(II) (1)
Mn/Ni/Co ions (1)
Modified silica gel (1)
molecular docking (1)
Molecular docking (1)
Molecular dynamics simulations (MDS) (1)
N-(pyridin-2-ylmethylene)methanamine (1)
Nickel(II) complex (1)
NLO properties (1)
NMR (1)
nonlinear optic (1)
nonlinear optical property (1)
Nonlinear optics (1)
Optical band gap (1)
Optical parameters (1)
Optical properties (1)
Organometallic compounds (1)
Palladium/gold (1)
Picolinic acid (1)
Proline (1)
pyridine-2-carboxylic acid derivative (1)
quantum chemistry (1)
SARS-CoV-2 (1)
Solid phase extraction (1)
Spectral characterization (1)
spectral elucidation (1)
Spectral elucidation (1)
Static and dynamic hyperpolarizability (1)
Static and dynamic NLO (1)
static NLO (1)
Static/dynamic NLO (1)
synthesis (1)
TD/DFT levels (1)
TD/DFT methods (1)
theoretical study (1)
thermodynamics (1)
Thiosemicarbazones (1)
Trace analysis (1)
transition metals (1)
UV-vis (1)
UV-Vis (1)
UV-Vis spectrum (1)
Vis (1)
X-ray (1)
X-ray diffraction (1)
XRD, FT-IR, and UV-Vis (1)
zinc and nickel complex (1)
Z-scan (1)