Vibrational spectra of furan, pyrrole, and thiophene from a density functional theory anharmonic force field

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 59, Issue 8, 2003, Pages 1881-1893

  Burcl, Rudolf ^a   Handy, Nicholas C ^a   Carter, Stuart ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF READING   (United Kingdom)

Author keywords

Fundamentals; Overtones; Perturbation theory; Variation theory; Vibrational levels

Indexed keywords

ELECTRON ENERGY LEVELS; FURAN RESINS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; SPECTRUM ANALYSIS; VARIATIONAL TECHNIQUES;

OVERTONES;

MOLECULAR VIBRATIONS;

EID: 0037542453     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(02)00421-3     Document Type: Article

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