## Abstract Classical molecular dynamics (MD) and combined quantum mechanical/molecular mechanical (QM/MM) MD simulations have been performed to investigate the structural and dynamical properties of the Tl(III) ion in water. A six‐coordinate hydration structure with a maximum probability of the Tl
Molecular dynamics simulations and quantum mechanical studies of the hydrogen bond in water cluster systems
✍ Scribed by Patricia L. Moore Plummer
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 960 KB
- Volume
- 237
- Category
- Article
- ISSN
- 0022-2860
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