## 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
Quantum mechanical/molecular mechanical molecular dynamic simulation of zinc(II) ion in water
✍ Scribed by Ahmed M. Mohammed; Hannes H. Loeffler; Yasuhiro Inada; Ken-ichiro Tanada; Shigenobu Funahashi
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 520 KB
- Volume
- 119
- Category
- Article
- ISSN
- 0167-7322
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