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Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies
Heliyon
◽
10.1016/j.heliyon.2020.e04976
◽
2020
◽
Vol 6
(9)
◽
pp. e04976
◽
Cited By ~ 1
Author(s):
M. Habib Rahuman
◽
S. Muthu
◽
B.R. Raajaraman
◽
M. Raja
◽
H. Umamahesvari
Keyword(s):
Acetic Acid
◽
Molecular Docking
◽
Docking Studies
◽
Fukui Function
◽
Molecular Docking Studies
◽
Vis Spectroscopy
◽
Ft Ir
◽
Homo Lumo
◽
Ft Raman
Download Full-text
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SSRN Electronic Journal
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10.2139/ssrn.3937953
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2021
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Author(s):
Divya C
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Govindammal M
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Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR), HOMO-LUMO, chemical reactivity, AIM, ELF, LOL and Molecular docking studies on 1-Benzyl-4-(N-Boc-amino)piperidine
Journal of Molecular Structure
◽
10.1016/j.molstruc.2020.129657
◽
2020
◽
pp. 129657
Author(s):
S. Janani
◽
Hemamalini Rajagopal
◽
S. Muthu
◽
S. Aayisha
◽
M. Raja
Keyword(s):
Molecular Structure
◽
Molecular Docking
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Chemical Reactivity
◽
Docking Studies
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Molecular Docking Studies
◽
Ft Ir
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Homo Lumo
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Ft Raman
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Conformational analysis, X-ray crystallographic, FT-IR, FT-Raman, DFT, MEP and molecular docking studies on 1-(1-(3-methoxyphenyl) ethylidene) thiosemicarbazide
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
◽
10.1016/j.saa.2014.12.026
◽
2015
◽
Vol 139
◽
pp. 321-328
◽
Cited By ~ 8
Author(s):
R.R. Saravanan
◽
S. Seshadri
◽
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S. Garcia-Granda
Keyword(s):
Molecular Docking
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Conformational Analysis
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Docking Studies
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X Ray
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Molecular Docking Studies
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Ft Ir
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Ft Raman
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Spectroscopic (FT-IR, FT Raman and UV-Vis), Quantum Computational and Molecular Docking studies on Propylthiouracil
Analytical Chemistry Letters
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10.1080/22297928.2021.1968315
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2021
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Vol 11
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A. Anuradha
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Molecular Docking
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Docking Studies
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Molecular Docking Studies
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Ft Ir
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Ft Raman
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Quantum Mechanical Study, Spectroscopic (FT-IR, FT-Raman and UV-Vis) Study, NBO, NLO Analysis and Molecular Docking Studies of 2-Ethoxy-4-(Pyridine-2yliminomethyl)-Phenol
Polycyclic Aromatic Compounds
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10.1080/10406638.2021.1896561
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2021
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pp. 1-24
Author(s):
Towseef Ahmad Hajam
◽
H. Saleem
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M. Syed Ali Padhusha
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Molecular Docking
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Docking Studies
◽
Quantum Mechanical
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Molecular Docking Studies
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Mechanical Study
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Quantum Mechanical Study
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Ft Ir
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Ft Raman
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DFT and experimental (FT-IR and FT-Raman) investigation of vibrational spectroscopy and molecular docking studies of 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-N-(3,4,5-trimethoxyphenyl) acetamide
Journal of Molecular Structure
◽
10.1016/j.molstruc.2016.02.038
◽
2016
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Vol 1113
◽
pp. 133-145
◽
Cited By ~ 30
Author(s):
Adel S. El-Azab
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Y. Sheena Mary
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...
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Molecular Docking
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Vibrational Spectroscopy
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Ft Ir
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Conformational, spectroscopic (FT-IR, FT-Raman, and UV-Vis), and molecular docking studies of N-(2-hydroxyethyl) succinimide
Journal of Molecular Structure
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10.1016/j.molstruc.2019.06.019
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2019
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Vol 1195
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pp. 451-461
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Cited By ~ 2
Author(s):
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Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide
Journal of Molecular Structure
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10.1016/j.molstruc.2017.03.117
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2017
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Cited By ~ 54
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Docking Study
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Homo Lumo
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Spectroscopic (FT-IR and FT-Raman), quantum computational (DFT) and molecular docking studies on 2(E)-(4-N,N-dimethylaminobenzylidene)-5-methylcyclohexanone
Materials Today Proceedings
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10.1016/j.matpr.2020.08.221
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2020
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Author(s):
J. Christina Jebapriya
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Johanan Christian Prasana
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S. Muthu
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B. Fathima Rizwana
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Molecular Docking
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Docking Studies
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Molecular Docking Studies
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Ft Ir
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Ft Raman
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Experimental and theoretical spectroscopic (FT-IR, FT-Raman, UV-VIS) analysis, natural bonding orbitals and molecular docking studies on 2-bromo-6-methoxynaphthalene: A potential anti-cancer drug
Heliyon
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◽
pp. e07213
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Rinnu Sara Saji
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Johanan Christian Prasana
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S. Muthu
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Jacob George
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Molecular Docking
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Docking Studies
◽
Cancer Drug
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Molecular Docking Studies
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Anti Cancer
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Ft Ir
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Ft Raman
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