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

Mechanical Study ◽

Ft Ir ◽

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 ◽

S. Gunasekaran ◽

R. Mendoza-Meroño ◽

S. Garcia-Granda

Keyword(s):

Molecular Docking ◽

Conformational Analysis ◽

Docking Studies ◽

X Ray ◽

Ft Ir ◽

Vibrational analysis of 2-nitrophenol. A joint FT-IR, FT-Raman and scaled quantum mechanical study

Chemical Physics ◽

10.1016/s0301-0104(98)00307-3 ◽

1998 ◽

Vol 238 (2) ◽

pp. 231-243 ◽

Cited By ~ 66

Author(s):

Attila Kovács ◽

Vladiszlav Izvekov ◽

Gábor Keresztury ◽

Gábor Pongor

Keyword(s):

Vibrational Analysis ◽

Quantum Mechanical ◽

Mechanical Study ◽

Ft Ir ◽

Spectroscopic (FT-IR, FT Raman) and quantum mechanical study on N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.05.106 ◽

2018 ◽

Vol 1171 ◽

pp. 268-278 ◽

Cited By ~ 12

Author(s):

Jacob George ◽

Johanan Christian Prasana ◽

S. Muthu ◽

Tintu K. Kuruvilla ◽

S. Sevanthi ◽

...

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Ft Ir ◽

FT-IR, FT-Raman spectra and scaled quantum mechanical study of 2,3-dihydroxy pyridine and 2,4-dihyroxy-3-nitropyridine

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2005.12.039 ◽

2006 ◽

Vol 65 (3-4) ◽

pp. 818-825 ◽

Cited By ~ 22

Author(s):

V. Krishnakumar ◽

S. Muthunatesan

Keyword(s):

Raman Spectra ◽

Quantum Mechanical ◽

Mechanical Study ◽

Ft Ir ◽

FT-IR, FT-Raman Spectra and Quantum Mechanical Study of Piperidine-3-Carboxylic Acid and Its Tautomers, Isomers

Оптика и спектроскопия ◽

10.7868/s003040341406021x ◽

2014 ◽

Vol 116 (6) ◽

pp. 982-994

Author(s):

, ◽

@enay Yurdakul ◽

Nefise Çigˆdem Ya ◽

@ayan ◽

Serdar Badogˆlu

Keyword(s):

Carboxylic Acid ◽

Raman Spectra ◽

Quantum Mechanical ◽

Mechanical Study ◽

Ft Ir ◽

Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman), first-order hyperpolarizability, NBO and HOMO–LUMO analysis of S-S-2 methylamino-1-phenyl propan-1-ol

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.01.026 ◽

2013 ◽

Vol 107 ◽

pp. 386-398 ◽

Cited By ~ 10

Author(s):

G. Ramachandran ◽

S. Muthu ◽

S. Renuga

Keyword(s):

Quantum Mechanical ◽

First Order ◽

Mechanical Study ◽

Ft Ir ◽

Homo Lumo ◽

Spectroscopic (FT-IR, FT Raman and UV-Vis), Quantum Computational and Molecular Docking studies on Propylthiouracil

Analytical Chemistry Letters ◽

10.1080/22297928.2021.1968315 ◽

2021 ◽

Vol 11 (6) ◽

pp. 771-791

Author(s):

A. Anuradha ◽

Rinnu Sara Saji ◽

Johanan Christian Prasana ◽

S. Muthu ◽

Fathima Rizwana B

Keyword(s):

Molecular Docking ◽

Docking Studies ◽

Ft Ir ◽

Vibrational spectroscopic (FT-IR, FT-Raman) and quantum mechanical study of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f] [1,2,4]triazolo[4,3-a][1,4] diazepine

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.01.001 ◽

2018 ◽

Vol 1157 ◽

pp. 519-529 ◽

Cited By ~ 19

Author(s):

Tintu K. Kuruvilla ◽

Johanan Christian Prasana ◽

S. Muthu ◽

Jacob George

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Ft Ir ◽

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 ◽

Vol 1113 ◽

pp. 133-145 ◽

Cited By ~ 30

Author(s):

Adel S. El-Azab ◽

Y. Sheena Mary ◽

C. Yohannan Panicker ◽

Alaa A.-M. Abdel-Aziz ◽

Magda A. El-Sherbeny ◽

...

Keyword(s):

Molecular Docking ◽

Vibrational Spectroscopy ◽

Docking Studies ◽

Ft Ir ◽

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 ◽

Vis Spectroscopy ◽

Ft Ir ◽

Homo Lumo ◽