## 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
✦ LIBER ✦
Investigation of Cu 2+ Hydration and the Jahn−Teller Effect in Solution by QM/MM Monte Carlo Simulations
✍ Scribed by Marini, Gerhard W.; Liedl, Klaus R.; Rode, Bernd M.
- Book ID
- 120360212
- Publisher
- American Chemical Society
- Year
- 1999
- Tongue
- English
- Weight
- 112 KB
- Volume
- 103
- Category
- Article
- ISSN
- 1089-5639
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