Scaled quantum chemical studies on the vibrational spectra of 4-bromo benzonitrile

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 5, 2009, Pages 1810-1813

  Krishnakumar, V ^a   Surumbarkuzhali, N ^b   Muthunatesan, S ^c  

^a PERIYAR UNIVERSITY   (India)

^b Government Polytechnic College   (India)

^c Government Arts College   (India)

Author keywords

4 Bromo benzonitrile; Density functional theory; Vibrational spectra

Indexed keywords

INFRARED SPECTROSCOPY; MOLECULAR SPECTROSCOPY; VIBRATIONAL SPECTRA;

4-BROMO BENZONITRILE; BASIS SETS; BENZONITRILE; INFRARED AND RAMAN SPECTRUMS; NORMAL COORDINATE ANALYSES; QUANTUM CHEMICAL STUDIES; SCALE FACTORS; TITLE COMPOUNDS; VIBRATIONAL BANDS; VIBRATIONAL FREQUENCIES;

DENSITY FUNCTIONAL THEORY;

4 BROMO BENZONITRILE; 4-BROMO BENZONITRILE; BENZONITRILE; NITRILE;

ARTICLE; BIOLOGICAL MODEL; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; QUANTUM THEORY; SPECTROSCOPY; VIBRATION;

COMPUTER SIMULATION; MODELS, BIOLOGICAL; MODELS, CHEMICAL; MOLECULAR CONFORMATION; NITRILES; QUANTUM THEORY; SPECTRUM ANALYSIS; VIBRATION;

EID: 56049088495     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.06.037     Document Type: Article

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