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Influence of electron correlation effects on the solvation of Cu2+ |
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| 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. |
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