Multiscale Treatment for the Molecular Mechanism of a Diels–Alder Reaction in Solution: A QM/MM-MD Study

标题
Multiscale Treatment for the Molecular Mechanism of a Diels–Alder Reaction in Solution: A QM/MM-MD Study
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 12, Issue 10, Pages 4735-4742
出版商
American Chemical Society (ACS)
发表日期
2016-09-18
DOI
10.1021/acs.jctc.6b00772

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