SPC/ε water model

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The SPC/ε model [1] is a modified version of the simple point-charge model SPC for water.

Parameters[edit]

Thee site water model.png
parameter value
\sigma  3.1785 {\mathrm {\AA}}
\epsilon 84.9  kB
r_\mathrm{OH}  1 \mathrm{\AA}
\angle_\mathrm{HOH}  109.45^{\circ}
q_{\mathrm{O}} -0.99 e
q_{\mathrm{H}} |q_{\mathrm{O}}|/2 (charge neutrality)

References[edit]