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Optimized molecular force field for sulfur hexafluoride simulations

✍ Scribed by Olivet, Aurelio; Vega, Lourdes F.


Book ID
119959079
Publisher
American Institute of Physics
Year
2007
Tongue
English
Weight
701 KB
Volume
126
Category
Article
ISSN
0021-9606

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Fast force field expressions for compute
✍ Jung, Bernd πŸ“‚ Article πŸ“… 1993 πŸ› Wiley (John Wiley & Sons) βš– 465 KB

## Abstract It is the aim of this work to develop analytical force field expressions that can be rapidly evaluated by computers. The new expressions approximate the energy hypersurfaces as described by the usual force fields. The energies and the derivatives of the energy expressions, i. e. the for