SPC/ε water model

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

Parameters[edit]

parameter	value
$\sigma$	$3.1785{\mathrm {\AA} }$
$\epsilon$	$84.9$ k_B
$r_{\mathrm {OH} }$	$1\mathrm {\AA}$
$\angle _{\mathrm {HOH} }$	$109.45^{\circ }$
$q_{\mathrm {O} }$	$-0.99e$
$q_{\mathrm {H} }$	$\|q_{\mathrm {O} }\|/2$ (charge neutrality)

References[edit]

↑ Raúl Fuentes-Azcatla, Noé Mendoza, AND José Alejandre "Improved SPC force field of water based on the dielectric constant: SPC/ε", Physica A: Statistical Mechanics and its Applications 420 PP. 116-123 (2015)

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