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Browsing by Author Elstner, Marcus

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Issue DateTitleAuthor(s)
29-Oct-2009Automatized Parametrization of SCC-DFTB Repulsive Potentials: Application to HydrocarbonsGaus, Michael; Chou, Chien-Pin; Witek, Henryk; Elstner, Marcus; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
5-Jul-2007Relativistic parametrization of the self-consistent-charge density-functional tight-binding method. 1. Atomic wave functions and energiesWitek, Henryk A.; Koehler, Christof; Frauenheim, Thomas; Morokuma, Keiji; Elstner, Marcus; 應用化學系分子科學碩博班; Institute of Molecular science
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