Molecular structure and vibrational investigation of benzenesulfonic acid methyl ester using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) theory calculations.
Babu, P David Suresh
Molecular structure and vibrational investigation of benzenesulfonic acid methyl ester using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) theory calculations. [electronic resource] - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Jan 2011 - 168-78 p. digital
Publication Type: Journal Article
1873-3557
10.1016/j.saa.2010.09.017 doi
Benzenesulfonates--chemistry
Esters
Models, Chemical
Molecular Conformation
Quantum Theory
Spectroscopy, Fourier Transform Infrared
Spectrum Analysis, Raman
Vibration
Molecular structure and vibrational investigation of benzenesulfonic acid methyl ester using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) theory calculations. [electronic resource] - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Jan 2011 - 168-78 p. digital
Publication Type: Journal Article
1873-3557
10.1016/j.saa.2010.09.017 doi
Benzenesulfonates--chemistry
Esters
Models, Chemical
Molecular Conformation
Quantum Theory
Spectroscopy, Fourier Transform Infrared
Spectrum Analysis, Raman
Vibration