Density-Functional Theory with Dispersion-Correcting Potentials for Methane: Bridging the Efficiency and Accuracy Gap between High-Level Wave Function and Classical Molecular Mechanics Methods

标题
Density-Functional Theory with Dispersion-Correcting Potentials for Methane: Bridging the Efficiency and Accuracy Gap between High-Level Wave Function and Classical Molecular Mechanics Methods
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 9, Issue 8, Pages 3342-3349
出版商
American Chemical Society (ACS)
发表日期
2013-06-14
DOI
10.1021/ct4003114

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