Influence of electron correlation effects on the solvation of Cu2+ |
| |
Authors: | Schwenk Christian F Rode Bernd M |
| |
Affiliation: | Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 52a, A-6020 Innsbruck, Austria. |
| |
Abstract: | Hybrid QM/MM MD simulations including electron correlation effects at MP2 level were performed to obtain an accurate picture of the solvation structure and the Jahn-Teller effect of the Cu2+ ion. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|