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
The photolysis of ethylene carbonate and vinylene carbonate in the gas phase
✍ Scribed by R.A. Back; J.M. Parsons
- Publisher
- Elsevier Science
- Year
- 1983
- Weight
- 549 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0047-2670
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