Density functional theory calculations and vibrational spectral analysis of 3,5-(dinitrobenzoic acid)

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 78, Issue 5, 2011, Pages 1437-1444

  Amalanathan, M ^a   Rastogi, V K ^b   Hubert Joe, I ^a   Palafox, M A ^c   Tomar, Rashmi ^b  

^a MAR IVANIOS COLLEGE   (India)

^b Physics Department   (India)

^c UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

DFT calculation; FT IR; FT Raman; Mulliken; NBO analysis

Indexed keywords

DFT CALCULATION; FT-IR; FT-RAMAN; MULLIKEN; NBO ANALYSIS;

CHEMICAL BONDS; RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS;

DENSITY FUNCTIONAL THEORY;

3,5 DINITROBENZOIC ACID; 3,5-DINITROBENZOIC ACID; NITROBENZOIC ACID DERIVATIVE;

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

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

EID: 79953026517     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.01.023     Document Type: Article

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