Michael Gaus

Michael Gaus

Volkswagen AG - - / Germany
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4374867
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person_outline Michael Gaus's MOST POPULAR ARTICLES
1-) DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB)M Gaus, Q Cui, M ElstnerJournal of chemical theory and computation 7 (4), 931-948, 20118972011
2-) Parametrization and benchmark of DFTB3 for organic moleculesM Gaus, A Goez, M ElstnerJournal of Chemical Theory and Computation 9 (1), 338-354, 20137152013
3-) Parameterization of DFTB3/3OB for sulfur and phosphorus for chemical and biological applicationsM Gaus, X Lu, M Elstner, Q CuiJournal of chemical theory and computation 10 (4), 1518-1537, 20142612014
4-) Parameterization of the DFTB3 method for Br, Ca, Cl, F, I, K, and Na in organic and biological systemsM Kubillus, T Kubar, M Gaus, J Rezac, M ElstnerJournal of chemical theory and computation 11 (1), 332-342, 20152712015
5-) Density functional tight binding: application to organic and biological moleculesM Gaus, Q Cui, M ElstnerWiley Interdisciplinary Reviews: Computational Molecular Science 4 (1), 49-61, 20142222014