ABS force field
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The ABS (Andrade-Böes-Stassen) force field [1] [2] for ionic liquids (1-ethyl-3-methylimidazolium and 1-n-butyl-3-methylimidazolium cations and the tetrachloroaluminate and tetrafluoroborate anions).
References[edit]
- ↑ Jones de Andrade, Elvis S. Böes and Hubert Stassen "A Force Field for Liquid State Simulations on Room Temperature Molten Salts: 1-Ethyl-3-methylimidazolium Tetrachloroaluminate", Journal of Physical Chemistry B 106 pp. 3546-3548 (2002)
- ↑ Jones de Andrade, Elvis S. Böes and Hubert Stassen "Computational Study of Room Temperature Molten Salts Composed by 1-Alkyl-3-methylimidazolium CationsForce-Field Proposal and Validation" Journal of Physical Chemistry B 106 pp. 13344-13351 (2002)