## Abstract We report here the results for an ab initio approach to obtain the parameters needed for molecular simulations using a polarizable force field. These parameters consist of the atomic charges, polarizabilities, and radii. The former two are readily obtained using methods reported previou
β¦ LIBER β¦
A distributed point polarizable force field for carbon dioxide
β Scribed by Fang-Fang Wang; Revati Kumar; Kenneth D. Jordan
- Book ID
- 113021715
- Publisher
- Springer
- Year
- 2012
- Tongue
- English
- Weight
- 529 KB
- Volume
- 131
- Category
- Article
- ISSN
- 1432-2234
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