Calculation of molecular vibrations: Selective scaling factors for semiempirical force constants

Journal of Computational Chemistry

Volumn 18, Issue 16, 1997, Pages 2050-2059

  Grunenberg, J ^a   Herges, R ^a  

^a TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

Complete theoretical force fields; DFT methods; Force constants; Semiempirical methods; Vibrational spectra

Indexed keywords

EID: 0001546619     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199712)18:16<2050::AID-JCC9>3.0.CO;2-K     Document Type: Article

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