Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs

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Title
Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 13, Issue 2, Pages 616-626
Publisher
American Chemical Society (ACS)
Online
2016-12-22
DOI
10.1021/acs.jctc.6b01102

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