Generalized valences and oxidation scores for solids
Linda S. Reitz, Peter C. Müller, Richard Dronskowski · 2026
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Description
Linda Reitz, Peter Muller, and Richard Dronskowski put forth generalised valences and oxidation scores for solids, drawn from quantum chemistry. Their 2026 piece takes the old ideas on oxidation numbers and spreads them wide, with wave functions from first principles.
Oxidation numbers in the old form keep to rules that give electrons to the atom that is more electronegative. The team sets out a like plan, from charges and bond orders that are worked out. It uses a way that turns plane waves into local orbitals. They show how the ideas work on many cases, both molecular and solid-state. They talk through the snags in the sums and in the ideas at their base. The goal is a handy way to count ionic character in materials that are not simple, where the old rules grow less clear.
Catalog record
| CREATOR | Linda S. Reitz, Peter C. Müller, Richard Dronskowski |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 57 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |