Molecular dynamics simulations have been performed for 8 methanol-water solutions using rigid and flexible potential models. The heat capacity, the radial distribution fbnctions and potential mean force obtained by MD simulations were compared to previous simuhuions and experimental results. Special
Structure of the associates and molecular motion in methanol
β Scribed by V. A. Daragan; A. U. Stepanyants; T. N. Khazanovich
- Book ID
- 104927326
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1978
- Tongue
- English
- Weight
- 507 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0022-4766
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