Automatized Parametrization of SCC-DFTB Repulsive Potentials: Application to Hydrocarbons†

标题
Automatized Parametrization of SCC-DFTB Repulsive Potentials: Application to Hydrocarbons†
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 113, Issue 43, Pages 11866-11881
出版商
American Chemical Society (ACS)
发表日期
2009-09-25
DOI
10.1021/jp902973m

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