Density functional theory study of vibrational spectra. 1. Performance of several density functional methods in predicting vibrational frequencies

Author： Xuefeng Z.   Wheeless C.J.M.   Ruifeng L.  

Publisher： Elsevier

ISSN： 0924-2031

Source： Vibrational Spectroscopy, Vol.12, Iss.1, 1996-07, pp. : 53-63

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