ChemDyME: Kinetically Steered, Automated Mechanism Generation through Combined Molecular Dynamics and Master Equation Calculations
出版年份 2021 全文链接
标题
ChemDyME: Kinetically Steered, Automated Mechanism Generation through Combined Molecular Dynamics and Master Equation Calculations
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 17, Issue 8, Pages 4901-4912
出版商
American Chemical Society (ACS)
发表日期
2021-07-21
DOI
10.1021/acs.jctc.1c00335
参考文献
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