Evaluation of the Performance of the B3LYP, PBE0, and M06 DFT Functionals, and DBLOC-Corrected Versions, in the Calculation of Redox Potentials and Spin Splittings for Transition Metal Containing Systems

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Title
Evaluation of the Performance of the B3LYP, PBE0, and M06 DFT Functionals, and DBLOC-Corrected Versions, in the Calculation of Redox Potentials and Spin Splittings for Transition Metal Containing Systems
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 12, Issue 3, Pages 1121-1128
Publisher
American Chemical Society (ACS)
Online
2016-01-26
DOI
10.1021/acs.jctc.5b00782

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