Comparison of Theoretical Methods and Basis Sets for ab initio and DFT Calculations of the Structure and Frequencies of Normal Vibrations of Polyatomic Molecules

Author: Berezin K. V.   Nechaev V. V.  

Publisher: Springer Publishing Company

ISSN: 0021-9037

Source: Journal of Applied Spectroscopy, Vol.71, Iss.2, 2004-03, pp. : 164-172

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