Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), Fukui function, antimicrobial and molecular docking study of (E)-1-(3-bromobenzylidene)semicarbazide by DFT method

2017 ◽  
Vol 1130 ◽  
pp. 374-384 ◽  
Author(s):  
M. Raja ◽  
R. Raj Muhamed ◽  
S. Muthu ◽  
M. Suresh ◽  
K. Muthu
Keyword(s):  
Molecular Docking ◽  
Dft Method ◽  
Docking Study ◽  
Fukui Function ◽  
Molecular Docking Study ◽  
Ft Ir ◽  
Uv Visible ◽  
Ft Raman

Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizabilities, NBO, Fukui function and molecular docking study of N-(4-Chloro-3-methylphenyl)-2-phenylacetamide

Optik ◽  
2017 ◽  
Vol 140 ◽  
pp. 1127-1142 ◽  
Author(s):  
R. Shahidha ◽  
S. Muthu ◽  
M. Raja ◽  
R. Raj Muhamed ◽  
B. Narayana ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Study ◽  
Fukui Function ◽  
Molecular Docking Study ◽  
First Order ◽  
Ft Ir ◽  
Ft Raman

Spectroscopic (FT-IR, FT-Raman, UV, NMR, NBO, NLO) investigation and molecular docking study of (R)-2-Methylamino-1-Phenylethanol (Halostachine)

2016 ◽  
Vol 1125 ◽  
pp. 576-591 ◽  
Author(s):  
K. Subashini ◽  
R. Govindarajan ◽  
R. Surendran ◽  
K. Mukund ◽  
S. Periandy
Keyword(s):  
Molecular Docking ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Ft Ir ◽  
Ft Raman

Spectroscopic analysis (FT-IR, FT-Raman and NMR) and molecular docking study of ethyl 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-acetate

2016 ◽  
Vol 1119 ◽  
pp. 451-461 ◽  
Author(s):  
Adel S. El-Azab ◽  
K. Jalaja ◽  
Alaa A.-M. Abdel-Aziz ◽  
Abdulrahman M. Al-Obaid ◽  
Y. Sheena Mary ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Spectroscopic Analysis ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Ft Ir ◽  
Ft Raman
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