Importance of direct spin-spin coupling and spin-flip excitations for the zero-field splittings of transition metal complexes: a case study
This work reports the evaluation of several theoretical approaches to the zero-field splitting (ZFS) in transition metal complexes. The experimentally well-known complex [Mn(acac)3] is taken as an example. The direct spin-spin contributions to the ZFS have been calculated on the basis of density fun...
Uložené v:
| Vydané v: | Journal of the American Chemical Society Ročník 128; číslo 31; s. 10213 |
|---|---|
| Hlavný autor: | |
| Médium: | Journal Article |
| Jazyk: | English |
| Vydavateľské údaje: |
United States
09.08.2006
|
| ISSN: | 0002-7863 |
| On-line prístup: | Zistit podrobnosti o prístupe |
| Tagy: |
Pridať tag
Žiadne tagy, Buďte prvý, kto otaguje tento záznam!
|
Buďte prvý, kto okomentuje tento záznam!