Anharmonic analysis of the vibrational spectrum of ketene by density functional theory using second-order perturbative approach

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 67, Issue 3-4, 2007, Pages 870-876

  Gupta, V P ^a  

^a UNIVERSITY OF JAMMU   (India)

Author keywords

Anharmonic frequencies; Combination bands; Coupling constants; DFT; Fundamental bands; Ketene; Overtones

Indexed keywords

ANHARMONIC FREQUENCIES; COMBINATION BANDS; COUPLING CONSTANTS; FUNDAMENTAL BANDS; KETENE; OVERTONES;

COMPUTATIONAL METHODS; DENSITY FUNCTIONAL THEORY; HARMONIC ANALYSIS; OPTIMIZATION; PERTURBATION TECHNIQUES; VIBRATIONAL SPECTRA;

AROMATIC COMPOUNDS;

ETHYLENE DERIVATIVE; KETENE; KETONE; UNCLASSIFIED DRUG;

ARTICLE; CHEMISTRY; QUANTUM THEORY; SPECTROSCOPY; THEORETICAL MODEL; VIBRATION;

ETHYLENES; KETONES; MODELS, THEORETICAL; QUANTUM THEORY; SPECTRUM ANALYSIS; VIBRATION;

EID: 34249300117     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.09.002     Document Type: Article

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