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Density-Based Descriptors of Redox Reactions Involving Transition Metal Compounds as a Reality-Anchored Framework: A Perspective |
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| Authors: | Daniel Koch Mohamed Chaker Manabu Ihara Sergei Manzhos |
| Affiliation: | 1.Centre Énergie Matériaux Télécommunications, Institut National de la Recherche Scientifique, 1650 Boulevard Lionel-Boulet, Varennes, QC J3X 1S2, Canada;2.School of Materials and Chemical Technology, Tokyo Institute of Technology, Ookayama 2-12-1, Meguro-ku, Tokyo 152-8552, Japan; |
| Abstract: | |
| Keywords: | oxidation transition metal compounds density functional theory charge self-regulation oxygen redox |