Systematic study of vibrational frequencies calculated with the self-consistent charge density functional tight-binding method

Henryk A. Witek, Keiji Morokuma. Systematic study of vibrational frequencies calculated with the self-consistent charge density functional tight-binding method. Journal of Computational Chemistry, 25(15):1858-1864, 2004. [doi]

Authors

Henryk A. Witek

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Keiji Morokuma

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