| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374886 | Chemical Physics | 2010 | 6 Pages |
Abstract
High-spin or low-spin? The lowest-lying states for different multiplicities of iron complexes are described with a combination of restricted open-shell Kohn-Sham theory and Car-Parrinello molecular dynamics.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Marius Schulte, Irmgard Frank,