SPC/FP model of water

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SPC/FP is a flexible/polarizable version of the simple point charge (SPC) model of water.

Parameters[edit]

Thee site water model.png
parameter value
\sigma  --- {\mathrm {\AA}}
\epsilon  --- kJ mol-1
r_\mathrm{OH}  --- \mathrm{\AA}
\angle_\mathrm{HOH} ---^{\circ}
q_{\mathrm{O}} ---- e
q_{\mathrm{H}} q_{\mathrm{O}}/2 (charge neutrality)

References[edit]

  1. S. B. Zhu, S. Yao, J. B. Zhu, Surjit Singh, and G. W. Robinson "A flexible/polarizable simple point charge water model", The Journal of Physical Chemistry 95 pp. 6211 - 6217 (1991)