Ab initio calculations of free energy of activation at multiple electronic structure levels made affordable: An effective combination of perturbation theory and machine learning

标题
Ab initio calculations of free energy of activation at multiple electronic structure levels made affordable: An effective combination of perturbation theory and machine learning
作者
关键词
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出版物
出版商
American Chemical Society (ACS)
发表日期
2020-07-28
DOI
10.1021/acs.jctc.0c00486

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