Vibrational spectroscopic (FTIR and FTRaman) investigation using ab initio (HF) and DFT (LSDA and B3LYP) analysis on the structure of Toluic acid

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 78, Issue 4, 2011, Pages 1321-1328

  Babu, P David Suresh ^a   Periandy, S ^b   Ramalingam, S ^c  

^a Wyckoff Junior College   (India)

^b Tagore Arts College   (India)

^c A V C COLLEGE AUTONOMOUS   (India)

Author keywords

Benzoic acid and methyl substitutions; IR intensities; LSDA and B3LYP; Raman activities; Toluic acid

Indexed keywords

BENZOIC ACID; IR INTENSITIES; LSDA AND B3LYP; RAMAN ACTIVITIES; TOLUIC ACIDS;

CATALYTIC OXIDATION; GEOMETRY; RAMAN SPECTROSCOPY; SPECTROSCOPIC ANALYSIS;

MOLECULAR VIBRATIONS;

BENZOIC ACID DERIVATIVE;

ANIMAL; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; HUMAN; INFRARED SPECTROSCOPY; METHODOLOGY; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

ANIMALS; BENZOIC ACIDS; COMPUTER SIMULATION; HUMANS; MODELS, CHEMICAL; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 79952009089     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.01.008     Document Type: Article

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