DFT and ab initio quantum chemical studies on p-cyanobenzoic acid

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 78, Issue 5, 2011, Pages 1449-1454

  Arjunan, V ^a   Rani, T ^b   Varalakshmy, L ^a   Mohan, S ^c   Tedlamelekot, F ^c  

^a Kanchi Mamunivar Centre for Post Graduate Studies   (India)

^b PRIST UNIVERSITY   (India)

^c HAWASSA UNIVERSITY   (Ethiopia)

Author keywords

Ab initio; DFT; FT Raman; FTIR; p Cyanobenzoic acid

Indexed keywords

AB INITIO; DFT; FT-RAMAN; FTIR; P-CYANOBENZOIC ACID;

AROMATIC POLYMERS; CALCULATIONS; CARBOXYLIC ACIDS; FOURIER TRANSFORMS; QUANTUM CHEMISTRY; RAMAN SPECTROSCOPY;

VIBRATION ANALYSIS;

4 CYANOBENZOIC ACID; 4-CYANOBENZOIC ACID; BENZOIC ACID DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; THERMODYNAMICS; VIBRATION;

BENZOIC ACIDS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 79953026174     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.01.026     Document Type: Article

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