Exploration of Chemical Compound, Conformer, and Reaction Space with Meta-Dynamics Simulations Based on Tight-Binding Quantum Chemical Calculations

标题
Exploration of Chemical Compound, Conformer, and Reaction Space with Meta-Dynamics Simulations Based on Tight-Binding Quantum Chemical Calculations
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 15, Issue 5, Pages 2847-2862
出版商
American Chemical Society (ACS)
发表日期
2019-04-04
DOI
10.1021/acs.jctc.9b00143

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