Conformational stability, vibrational (FT-IR and FT-Raman) spectra and computational analysis of m-trifluoromethyl benzoic acid

2015 ◽  
Vol 137 ◽  
pp. 165-175 ◽  
Author(s):  
V. Balachandran ◽  
V. Karpagam ◽  
G. Santhi ◽  
B. Revathi ◽  
G. Ilango ◽  
...  
Keyword(s):  
Benzoic Acid ◽  
Raman Spectra ◽  
Computational Analysis ◽  
Conformational Stability ◽  
Ft Ir ◽  
Ft Raman

FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N,N′-dimethylamino pyridine

2008 ◽  
Vol 71 (3) ◽  
pp. 898-906 ◽  
Author(s):  
N. Sundaraganesan ◽  
S. Kalaichelvan ◽  
C. Meganathan ◽  
B. Dominic Joshua ◽  
J. Cornard
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Ft Ir ◽  
Hf And Dft Calculations ◽  
Ab Initio Hf ◽  
Ft Raman

Vibrational Analysis (FT-IR and FT-Raman Spectra) and Molecular Docking Evaluation of MPTB in GABA Receptor

2019 ◽  
Vol 30 (4) ◽  
pp. 1025-1035
Author(s):  
B. Sathya ◽  
M. Prasath ◽  
M. Selvapandiyan ◽  
K. Prabha
Keyword(s):  
Molecular Docking ◽  
Raman Spectra ◽  
Gaba Receptor ◽  
Vibrational Analysis ◽  
Ft Ir ◽  
Ft Raman

Structural and SQMFF study of potent insecticide 4′,4′-DDT combining the FT-IR and FT-Raman spectra with DFT calculations

2020 ◽  
Vol 1199 ◽  
pp. 126964 ◽  
Author(s):  
Maximiliano A. Iramain ◽  
María V. Castillo ◽  
Lilian Davies ◽  
María E. Manzur ◽  
Silvia Antonia Brandán
Keyword(s):  
Dft Calculations ◽  
Raman Spectra ◽  
Ft Ir ◽  
Ft Raman

FT-IR, FT-Raman spectra and other molecular properties of 3,5-dichlorobenzonitrile: A DFT study

2013 ◽  
Vol 116 ◽  
pp. 509-517 ◽  
Author(s):  
M. Alcolea Palafox ◽  
V. Bena Jothy ◽  
Surabhi Singhal ◽  
I. Hubert Joe ◽  
Satendra Kumar ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Molecular Properties ◽  
Dft Study ◽  
Ft Ir ◽  
Ft Raman
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