## Abstract A combined __ab initio__ quantum mechanical/molecular mechanical (QM/MM) molecular dynamics simulation has been performed to investigate solvation structure and dynamics of NH in water. The most interesting region, the sphere includes an ammonium ion and its first hydration shell, was t
โฆ LIBER โฆ
Hydration structures of U(III) and U(IV) ions from ab initio molecular dynamics simulations
โ Scribed by Leung, Kevin; Nenoff, Tina M.
- Book ID
- 120389629
- Publisher
- American Institute of Physics
- Year
- 2012
- Tongue
- English
- Weight
- 956 KB
- Volume
- 137
- Category
- Article
- ISSN
- 0021-9606
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