Molecular Dynamics simulations of pure ethylene carbonate, propylene carbonate and dimethyl carbonate have been carried out at different temperatures in the liquid phase. The all atom OPLS parameters are used to describe van der Waais interactions and the atomic charges are obtained from ab initio 6
β¦ LIBER β¦
Conformational analysis of liquid dimethyl carbonate by molecular dynamics calculations
β Scribed by OKADA, OKIMASA
- Book ID
- 119938891
- Publisher
- Taylor and Francis Group
- Year
- 1998
- Tongue
- English
- Weight
- 199 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0026-8976
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