A New Approach to Vibrational Analysis of Large Molecules by Density Functional Theory: Wavenumber-Linear Scaling Method

American Chemical Society (ACS) - Tập 106 Số 14 - Trang 3580-3586 - 2002
Hiroshi Yoshida1, Kumi Takeda1, J Okamura1, Akito Ehara1, Hiroatsu Matsuura1
1Department of Chemistry, Graduate School of Science, Hiroshima University, Kagamiyama, Higashi-Hiroshima 739-8526, Japan

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