Comparison of theoretical and experimental studies of infrared spectral data for the 5-membered ring heterocycles

Journal of Molecular Structure

Volumn 834-836, Issue SPEC. ISS., 2007, Pages 113-128

  Palmer, Michael H ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

Anharmonic frequencies; Basis sets; Infrared absorption; Raman spectroscopy; Theoretical calculations

Indexed keywords

DENSITY FUNCTIONAL THEORY; INFRARED ABSORPTION; INFRARED SPECTROSCOPY; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA;

ANHARMONIC FREQUENCIES; BASIS SETS; CORIOLIS EFFECTS; THIADIAZOLES;

AROMATIC COMPOUNDS;

EID: 33947687674     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.12.016     Document Type: Article

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