Editing SPC/Fw model of water
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The '''SPC/Fw''' is a | The '''SPC/Fw''' is a variant of the [[SPC]] model for [[water]] | ||
<ref>[http://dx.doi.org/10.1063/1.2136877 Yujie Wu, Harald L. Tepper and Gregory A. Voth "Flexible simple point-charge water model with improved liquid-state properties", Journal of Chemical Physics '''124''' 024503 (2006)]</ref>. | <ref>[http://dx.doi.org/10.1063/1.2136877 Yujie Wu, Harald L. Tepper and Gregory A. Voth "Flexible simple point-charge water model with improved liquid-state properties", Journal of Chemical Physics '''124''' 024503 (2006)]</ref>. | ||
This model has also been re-parametrised for quantum simulations, adopting the name '''q-SPC/Fw''' | This model has also been re-parametrised for quantum simulations, adopting the name '''q-SPC/Fw''' | ||
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The parameters for both of these models are given in the following table (Table I of <ref name="q-SPC/Fw"> </ref>): | The parameters for both of these models are given in the following table (Table I of <ref name="q-SPC/Fw"> </ref>): | ||
{| style="width:75%; height:100px" border="1" | {| style="width:75%; height:100px" border="1" | ||
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| q-SPC/Fw || 1059.162 || 1.000 || 75.90 || 112.0 || 3.165492 || 0.1554252 || -0.84 || 0.42 | | q-SPC/Fw || 1059.162 || 1.000 || 75.90 || 112.0 || 3.165492 || 0.1554252 || -0.84 || 0.42 | ||
|} | |} | ||
where the | where the units of <math>k_b</math> and <math>k_a</math> are kcal.mol<sup>-1</sup>Å<sup>-2</sup>. | ||
==References== | ==References== | ||
<references/> | <references/> |