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The central ion effect on the complex formation process in aqueous organic solvents. The Jahn-Teller effect in the Cu2+solutions

✍ Scribed by A. F. Borina

Book ID
111458105
Publisher
SP MAIK Nauka/Interperiodica
Year
2007
Tongue
English
Weight
204 KB
Volume
33
Category
Article
ISSN
1070-3284

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The Jahn-Teller effect of the Cr2+ ion i
The Jahn-Teller effect of the Cr2+ ion in aqueous solution: Ab initio QM/MM molecular dynamics simulations
✍ Chinapong Kritayakornupong πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 151 KB πŸ‘ 2 views

## Abstract The hydration structure of Cr^2+^ has been studied using molecular dynamics (MD) simulations including three‐body corrections and combined __ab initio__ quantum mechanical/molecular mechanical (QM/MM) MD simulations at the Hartree‐Fock level. The structural properties are determined in