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

Title
Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab Initio Theory and Pair Natural Orbital Approaches
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 12, Issue 5, Pages 2272-2284
Publisher
American Chemical Society (ACS)
Online
2016-04-12
DOI
10.1021/acs.jctc.6b00252

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