Vibrational spectra and harmonic force fields of pyrrolidine derivatives: Comparison between HF, MP2 and DFT force fields

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 53, Issue 14, 1997, Pages 2537-2551

  Billes, Ferenc ^a   Geidel, Ekkehard ^b  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b UNIVERSITY OF HAMBURG   (Germany)

Author keywords

Assignment of fundamentals; Density functional theory; Pyrrolidine derivatives; Scale factors; Vibrational analysis

Indexed keywords

EID: 0347934850     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(97)00185-6     Document Type: Article

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