DFT (14)
XRD (8)
Crystal structure (3)
DFT levels (3)
Docking (3)
Frequency-dependent hyperpolarizability (3)
4-methoxypyridine-2-carboxylic acid (2)
6-methylpyridine-2-carboxaldehyde (2)
6-Methylpyridine-2-carboxylic acid (2)
alpha-Glucosidase (2)
crystal structure (2)
FT-IR and UV-Vis (2)
Metal ions (2)
NLO (2)
powder XRD, FTIR and UV-Vis (2)
Pyrazole (2)
Schiff base (2)
static/dynamic NLO (2)
Zn(II) complex (2)
α (1)
2, 2'-bipyridyl (1)
2,2 '-dipyridylamine (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-fluoro-pyridine-2-carboxylic acid (1)
8E4T (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)
Chalcone derivative (1)
Charge transfer compounds (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)
electronic spectra (1)
Flavonol (1)
Fluorescence (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)
Hyperpolarizability (1)
IR and NMR (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)
NLO properties (1)
NMR (1)
nonlinear optic (1)
nonlinear optical property (1)
Nonlinear optics (1)
Optical parameters (1)
Optical properties (1)
Organometallic compounds (1)
Palladium/gold (1)
Picolinic acid (1)
Proline (1)
pyridine-2-carboxylic acid derivative (1)
Pyridine-2-carboxylic acid derivative (1)
quantum chemistry (1)
SARS-CoV-2 (1)
Solid phase extraction (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)
Trace analysis (1)
transition metals (1)
UV-vis (1)
UV-Vis (1)
UV-Vis spectrum (1)
Vis (1)
X-ray (1)
XRD, FT-IR, and UV-Vis (1)
zinc and nickel complex (1)