SPC/FQ model of water

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This article is a 'stub' about water and/or ice. It has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add material to this article, remove the {{Stub-water}} template from this page.

The SPC/FQ model is a variant of the SPC model, having fluctuating charges.

Parameters[edit]

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]

Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics 101 pp. 6141-6156 (1994)

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