Modelization of vibrational spectra beyond the harmonic approximation from an iterative variation-perturbation scheme: The four conformers of the glycolaldehyde

Theoretical Chemistry Accounts

Volumn 131, Issue 3, 2012, Pages 1-8

  Carbonniere, Philippe ^a   Pouchan, Claude ^a  

^a UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

Author keywords

Ab initio; Anharmonic vibrational spectra; DFT; Glycolaldehyde; IR intensities

Indexed keywords

EID: 84857673533     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1183-1     Document Type: Article

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