SPCP model of water: Difference between revisions
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{{Stub-water}} | {{Stub-water}} | ||
'''SPCP''' is a [[SPC]]-like model of [[water]]. | '''SPCP''' is a [[SPC]]-like model of [[water]]. | ||
==Parameters== | |||
[[Image:Thee_site_water_model.png|center|400px]] | |||
{| border="1" | |||
|- | |||
| parameter || value | |||
|- | |||
| <math>\sigma</math> || <math> --- {\mathrm {\AA}}</math> | |||
|- | |||
| <math>\epsilon</math> || <math> --- </math> kJ mol<sup>-1</sup> | |||
|- | |||
| <math>r_\mathrm{OH}</math> || <math> --- \mathrm{\AA}</math> | |||
|- | |||
| <math>\angle_\mathrm{HOH}</math> || <math>---^{\circ}</math> | |||
|- | |||
| <math>q_{\mathrm{O}}</math> || <math>---- e</math> | |||
|- | |||
| <math>q_{\mathrm{H}}</math> || <math>q_{\mathrm{O}}/2</math> (charge neutrality) | |||
|} | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1080/00268978900102361 Peter Ahlström, Anders Wallqvist, Sven Engström and Bo Jönsson "A molecular dynamics study of polarizable water", Molecular Physics '''68''' pp. 563-581 (1989)] | #[http://dx.doi.org/10.1080/00268978900102361 Peter Ahlström, Anders Wallqvist, Sven Engström and Bo Jönsson "A molecular dynamics study of polarizable water", Molecular Physics '''68''' pp. 563-581 (1989)] | ||
[[category: water]] | [[category: water]] | ||
[[category: models]] | [[category: models]] |
Revision as of 17:27, 8 June 2009
SPCP is a SPC-like model of water.
Parameters
parameter | value |
kJ mol-1 | |
(charge neutrality) |