Vibrational spectra and fundamental structural assignments from HF and DFT calculations of methyl benzoate

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 68, Issue 3, 2007, Pages 771-777

  Sundaraganesan, N ^a   Dominic Joshua, B ^a  

^a ANNAMALAI UNIVERSITY   (India)

Author keywords

FT IR and FT Raman spectra: ab initio HF and DFT; Methyl benzoate; Vibrational analysis

Indexed keywords

AB INITIO HF; METHYL BENZOATE; THERMODYNAMIC FUNCTIONS;

DENSITY FUNCTIONAL THEORY; DEPOLARIZATION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; RAMAN SCATTERING; THERMODYNAMICS; VIBRATIONAL SPECTRA;

TOLUENE;

BENZOIC ACID DERIVATIVE; CARBON; HYDROGEN; METHYL BENZOATE; OXYGEN; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ENTROPY; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY; ROTATION; VIBRATION;

BENZOATES; CARBON; ENTROPY; HYDROGEN; MODELS, CHEMICAL; OXYGEN; ROTATION; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 34848855568     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.12.059     Document Type: Article

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