Vibrational spectra, NLO analysis, and HOMO-LUMO studies of 2-chloro-6-fluorobenzoic acid and 3,4-dichlorobenzoic acid by density functional method.

Senthil Kumar, J

Vibrational spectra, NLO analysis, and HOMO-LUMO studies of 2-chloro-6-fluorobenzoic acid and 3,4-dichlorobenzoic acid by density functional method. [electronic resource] - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Aug 2015 - 235-44 p. digital

Publication Type: Journal Article

1873-3557

10.1016/j.saa.2015.03.058 doi


Benzoates--chemistry
Chlorobenzoates--chemistry
Models, Molecular
Quantum Theory
Spectroscopy, Fourier Transform Infrared
Spectrum Analysis, Raman
Thermodynamics