## Abstract An __ab initio__ quantum mechanical charge field (QMCF) molecular dynamics simulation has been performed to study the structural and dynamical properties of a dilute aqueous HCl solution. The solute molecule HCl and its surrounding water molecules were treated at HartreeβFock level in c
β¦ LIBER β¦
The solvation structure of Pb(II) in dilute aqueous solution: An ab initio quantum mechanical/molecular mechanical molecular dynamics approach
β Scribed by Hofer, Thomas S.; Rode, Bernd M.
- Book ID
- 121694520
- Publisher
- American Institute of Physics
- Year
- 2004
- Tongue
- English
- Weight
- 377 KB
- Volume
- 121
- Category
- Article
- ISSN
- 0021-9606
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