DFT (15)
XRD (8)
Docking (4)
Frequency-dependent hyperpolarizability (4)
NLO (4)
DFT levels (3)
Dye-sensitized solar cells (3)
Pyridine-2-carboxylic acid derivative (3)
Quinoline (3)
Schiff base (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)
Auxiliary acceptor (2)
crystal structure (2)
Crystal structure (2)
DFT calculations (2)
FT-IR and UV-Vis (2)
Hyperpolarizability (2)
Metal ions (2)
molecular docking (2)
Optical properties (2)
powder XRD, FTIR and UV-Vis (2)
Pyrazole (2)
static/dynamic NLO (2)
α (1)
<italic>Cydonia oblonga</italic> (1)
<italic>Diospyros kaki</italic> (1)
2, 2'-bipyridyl (1)
2,2 '-dipyridylamine (1)
3-/6-Methylpicolinic acid (1)
4-Chloro-Pyridine-2-Carboxylic acid (1)
4-methoxypyridine-2-carboxylic acid | crystal structure | nonlinear optical property | theoretical study | zinc and nickel complex (1)
5-Difluoropyridine-2-carboxylic acid (1)
6-Bromopicolinic acid (1)
6-Bromopyridine-2-carboxylic acid (1)
6-Bromopyridine-2-carboxylic acid | DFT | Frequency-dependent hyperpolarizability | FT-IR and UV–Vis Spectra | XRD (1)
6-Chloropicolinic acid (1)
6-Chloropyridine-2-carboxylic acid | DFT | molecular docking | NLO | SARS-CoV-2 (1)
6-fluoropyridine-2-carboxylic acid (1)
6-fluoro-pyridine-2-carboxylic acid (1)
6-methylpyridine-2-carboxaldehyde | DFT levels | powder XRD, FTIR and UV–Vis | static/dynamic NLO (1)
Acridine (1)
ADMET (1)
Ag(I) complex (1)
alpha-glucosidase and alpha-amylase (1)
alpha-glucosidase inhibition (1)
alpha-glucosidase/docking (1)
antibacterial (1)
anti-inflammatory (1)
anti-inflammatory | antibacterial | antioxidant | GST enzyme inhibition | leaves extracts | nanoparticles (1)
antioxidant (1)
Atomic absorption spectrometry (1)
azide (1)
Azide (1)
Azide | Mn/Ni/Co ions | NLO | Schiff base | Spectral elucidation | TD/DFT levels (1)
B3LYP (1)
Benzothiadiazole (1)
CDK8 inhibition (1)
Chalcone derivative (1)
Charge transfer compounds (1)
Co(II) complex (1)
Co(II) complex | DFT calculations | Hyperpolarizability | Optical band gap | Pyridine-2-carboxylic acid derivative (1)
Co-adsorbent (1)
Concentration (1)
Copper complex (1)
Cosensitization (1)
Co-sensitization (1)
Cu/Hg/Cd/Ag/Zn ions (1)
Curcumin (1)
Curcumin | density functional calculations | DFT | NLO properties | quantum chemistry | thermodynamics | transition metals (1)
Cyanovinylbenzoic acid (1)
Cydonia oblonga | Diospyros kaki | GST inhibition | molecular docking | vinegar (1)
Cysteine-curcumin (1)
D-A-pi-A organic dyes (1)
Dc-Kerr effect and EFSHG (1)
density functional calculations (1)
Density functional theory (1)
DFT | FT-IR and UV-is | nonlinear optic | pyridine-2-carboxylic acid derivative | synthesis | XRD (1)
DFT method (1)
DFT(B3LYP/HSEH1PBE) | Docking | ELF-LOL | Hyperpolarizability | Thiosemicarbazones (1)
DFT//CAM-B3LYP/omega B97XD (1)
DFT//HSEh1PBE (1)
DFT/B3LYP (1)
DFT/HSEh1PBE (1)
DFT/M06-L and omega B97XD (1)
DFT/M06-L, CAM-B3LYP, HSEh1PBE levels (1)
Diethylenetriamine (1)
D-it-A dye (1)
DNA binding (1)
D-pi-A-pi-A (1)
Dye-sensitized solar cell (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)
Gewald reaction (1)
-Glucosidase (1)
GST enzyme inhibition (1)
GST inhibition (1)
H-1 and C-13 NMR chemical shifts (1)
Hirshfeld surface analysis (1)
HOMO (1)
HSEh1PBE (1)
IR and NMR (1)
IR and UV-Vis (1)
IR and UV-vis spectroscopy (1)
Isothiocyanate (1)
isocoumarin (1)
leaves extracts (1)
LUMO (1)
malononitrile (1)
Manganese (1)
Metal complex (1)
metal ions (1)
Metallointercalator (1)
Methylene bis(dithiobenzonoate) (1)
Mn(II) and Co(II) (1)
Mn/Ni/Co ions (1)
Modified silica gel (1)
Molecular docking (1)
N-(pyridin-2-ylmethylene)methanamine (1)
N719 (1)
nanoparticles (1)
N-ethylhexylbenzotriazole (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)
Palladium/gold (1)
photophysical properties (1)
Picolinic acid (1)
pyridine-2-carboxylic acid derivative (1)
quantum chemistry (1)
SC-XRD (1)
Solar energy conversion (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)
thiophene (1)
Thiosemicarbazones (1)
Trace analysis (1)
transition metals (1)
UV-vis (1)
UV-Vis (1)
UV-Vis absorption spectra (1)
UV-Vis spectrum (1)
vinegar (1)
Vis (1)
X-ray diffraction (1)
XRD, FT-IR, and UV-Vis (1)
zinc and nickel complex (1)
Z-scan (1)
