SPC model of water: Difference between revisions
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The '''simple point charge''' empirical [[models |model]] (SPC) of [[water]]. The molecule is modelled as | The '''simple point charge''' empirical [[models |model]] (SPC) of [[water]]. The molecule is modelled as | ||
a rigid triangle, having the following parameters | a rigid triangle, having the following parameters: | ||
[[Image:Water_empirical1.png|center|300px]] | |||
{| border="1" | {| border="1" | ||
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| <math>\mathcal{l}</math> || 1.000<math>{\mathrm {\AA}}</math> | | <math>\mathcal{l}</math> || 1.000<math>{\mathrm {\AA}}</math> | ||
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| <math>\ | | <math>\angle_{\mathrm {HOH}}</math> || <math>109.47^{\circ}</math> | ||
|- | |- | ||
| <math>q_{\mathrm{O}}</math> || -0.82 <math>e</math> | | <math>q_{\mathrm{O}}</math> || -0.82 <math>e</math> | ||
Revision as of 12:33, 14 February 2008
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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 simple point charge empirical model (SPC) of water. The molecule is modelled as a rigid triangle, having the following parameters:
| parameter | value |
| 3.166 | |
| 0.650 kJ mol-1 | |
| 1.000 | |
| -0.82 |
References
- H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren and J. Hermans, in: Intermolecular Forces (B. Pullman, ed.), Reidel, Dordrecht, p. 331 (1981).