Quantifying the Mechanism of Phosphate Monoester Hydrolysis in Aqueous Solution by Evaluating the Relevant Ab Initio QM/MM Free-Energy Surfaces

标题
Quantifying the Mechanism of Phosphate Monoester Hydrolysis in Aqueous Solution by Evaluating the Relevant Ab Initio QM/MM Free-Energy Surfaces
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 117, Issue 42, Pages 12807-12819
出版商
American Chemical Society (ACS)
发表日期
2013-04-22
DOI
10.1021/jp4020146

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