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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| Description | scientific article published on 21 December 2016 |
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author: Samuel O Odoh Junwei Lucas Bao Donald Truhlar Laura Gagliardi |
| Publication date | January 4, 2017 |
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