| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5390177 | Chemical Physics Letters | 2006 | 5 Pages |
Abstract
An analysis of the electronic structure and the exchange coupling in the bicapped, eight-electron reduced Keggin polyoxoanion [PMo12O40(VO)2]5â has been carried out using density functional theory and post Hartree-Fock calculations.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![Ab initio and DFT study of the exchange coupling in the highly reduced polyoxoanion [PMo12O40(VO)2]5â](/preview/png/5390177.png "First Page Preview: Ab initio and DFT study of the exchange coupling in the highly reduced polyoxoanion [PMo12O40(VO)2]5â")
Authors
Antonio RodrÃguez-Fortea, Coen de Graaf, Josep M. Poblet,