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Spectroscopic (FT-IR, FT-Raman, UV-Visible), Quantum Mechanical Based Computational Studies and Molecular Docking Analysis of 2-Amino-3,5-dichloropyridine
Analytical Chemistry Letters
◽
10.1080/22297928.2021.1981440
◽
2021
◽
Vol 11
(6)
◽
pp. 848-861
Author(s):
S. Selvakumari
◽
C. Venkataraju
◽
S. Muthu
◽
Ahmad Irfan
◽
S. Sevvanthi
◽
...
Keyword(s):
Molecular Docking
◽
Quantum Mechanical
◽
Computational Studies
◽
Docking Analysis
◽
Ft Ir
◽
Uv Visible
◽
Molecular Docking Analysis
◽
Ft Raman
Download Full-text
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Docking Analysis
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Spectroscopic investigation (FT-IR, FT-Raman), HOMO-LUMO, NBO, and molecular docking analysis of N -ethyl- N -nitrosourea, a potential anticancer agent
Journal of Molecular Structure
◽
10.1016/j.molstruc.2017.10.012
◽
2018
◽
Vol 1154
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◽
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Author(s):
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◽
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◽
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◽
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Spectroscopic Investigation
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Docking Analysis
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Ft Ir
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◽
Molecular Docking Analysis
◽
Ft Raman
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Vibrational Spectroscopic Studies (FT-IR, FT-Raman, UV) and Molecular Docking Analysis of Ebilfumin Drugs with Quantum Chemical Calculations
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10.29294/ijase.5.1.2018.800-817
◽
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◽
Vol 5
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◽
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Docking Analysis
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Ft Ir
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Molecular Docking Analysis
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Quantum chemical calculation, performance of selective antimicrobial activity using molecular docking analysis, RDG and experimental (FT-IR, FT-Raman) investigation of 4-[{2-[3-(4-chlorophenyl)-5-(4-propan-2-yl) phenyl)-4, 5-dihydro- 1H- pyrazol-1-yl]-4-oxo-1, 3- thiazol-5(4H)-ylidene} methyl] benzonitrile
Heliyon
◽
10.1016/j.heliyon.2021.e07634
◽
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◽
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Author(s):
N. Shanmugapriya
◽
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◽
B. Revathi
◽
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Keyword(s):
Antimicrobial Activity
◽
Molecular Docking
◽
Quantum Chemical Calculation
◽
Quantum Chemical
◽
Chemical Calculation
◽
Docking Analysis
◽
Ft Ir
◽
Selective Antimicrobial Activity
◽
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Spectroscopic investigations (FT-IR & FT-Raman) and molecular docking analysis of 6-[1-methyl-4-nitro-1H-imidazol-5-yl) sulfonyl]-7H-purine
Journal of Molecular Structure
◽
10.1016/j.molstruc.2017.05.136
◽
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◽
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◽
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◽
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◽
Docking Analysis
◽
Spectroscopic Investigations
◽
Ft Ir
◽
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Ft Raman
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Vibrational Spectra, Quantum Mechanical Calculations and Molecular Docking Analysis of (2E,4E,6E,8E)-9- (4-Methoxy-2,3,6-Trimethylphenyl)-3,7-Dimethylnona-2,4,6,8-Tetraenoic Acid
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◽
10.29055/jccs/573
◽
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◽
Vol 8
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◽
pp. 178-198
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◽
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◽
Quantum Mechanical Calculations
◽
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◽
Docking Analysis
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10.1016/j.molstruc.2021.130880
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FT-IR, FT-Raman, UV–Visible, NMR, DFT and molecular docking investigation of 1-(phenyl (piperidin-1-yl) methyl) naphthalene-2-ol
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10.1016/j.rechem.2021.100096
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◽
Vol 3
◽
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Author(s):
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◽
V. Vijayakumar
◽
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◽
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◽
Maria Susai Boobalan
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Molecular Docking
◽
Ft Ir
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Uv Visible
◽
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◽
Ft Raman
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SYNTHESIS, DFT, SPECTROSCOPIC CHARACTERISATION (FT-IR, FT-RAMAN, NMR AND UV-VISIBLE) AND MOLECULAR DOCKING INVESTIGATION OF 3-(4- BROMOPHENYL)-1-(THIOPHEN-2-YL) PROP-2-EN-1 ONE
RASAYAN Journal of Chemistry
◽
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◽
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◽
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◽
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Author(s):
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Keyword(s):
Molecular Docking
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Ft Ir
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Uv Visible
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Ft Raman
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