Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab Initio Theory and Pair Natural Orbital Approaches

标题
Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab Initio Theory and Pair Natural Orbital Approaches
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 12, Issue 5, Pages 2272-2284
出版商
American Chemical Society (ACS)
发表日期
2016-04-12
DOI
10.1021/acs.jctc.6b00252

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