Large-Scale Quantum-Mechanical Molecular Dynamics Simulations Using Density-Functional Tight-Binding Combined with the Fragment Molecular Orbital Method

标题
Large-Scale Quantum-Mechanical Molecular Dynamics Simulations Using Density-Functional Tight-Binding Combined with the Fragment Molecular Orbital Method
作者
关键词
-
出版物
Journal of Physical Chemistry Letters
Volume 6, Issue 24, Pages 5034-5039
出版商
American Chemical Society (ACS)
发表日期
2015-12-02
DOI
10.1021/acs.jpclett.5b02490

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