Ab initio and DFT studies of the molecular structures and vibrational spectra of succinonitrile

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 66, Issue 4-5, 2007, Pages 1133-1140

  Umar, Yunusa ^a   Morsy, M A ^a  

^a KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS   (Saudi Arabia)

Author keywords

1,2 Dicyanoethane; Ab initio; Density functional method; Infrared spectra; Raman spectra; Succinonitrile; Vibrational frequencies

Indexed keywords

1,2-DICYANOETHANE; DENSITY FUNCTIONAL METHOD; SUCCINONITRILE; VIBRATIONAL FREQUENCIES;

INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; RAMAN SPECTROSCOPY;

ORGANIC COMPOUNDS;

NITRILE; SUCCINONITRILE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; RAMAN SPECTROMETRY; THERMODYNAMICS; VIBRATION;

MODELS, CHEMICAL; MOLECULAR CONFORMATION; NITRILES; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 33847295623     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.05.026     Document Type: Article

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