Cargando…
Meeting the Challenge of Magnetic Coupling in a Triply-Bridged Chromium Dimer: Complementary Broken-Symmetry Density Functional Theory and Multireference Density Matrix Renormalization Group Perspectives
[Image: see text] Face-sharing octahedral dinuclear Cr(III) compounds with d(3)–d(3) electronic configurations represent nontrivial examples of electronic complexity, posing particular challenges for theoretical and computational studies. A tris-hydroxy-bridged Cr(III)–Cr(III) system has proven to b...
| Autor principal: | |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2019
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6728064/ https://www.ncbi.nlm.nih.gov/pubmed/30645093 http://dx.doi.org/10.1021/acs.jctc.8b00969 |