CLAYFF force field

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CLAYFF[1] is a general force field suitable for the simulation of hydrated and multicomponent mineral systems and their interfaces with aqueous solutions.

Functional form

Parameters

References

  1. ↑ Randall T. Cygan, Jian-Jie Liang, and Andrey G. Kaliniche "Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field" Journal of Physical Chemistry B 108 pp. 1255-1266 (2004)
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