TIP4P model of water: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
Carl McBride (talk | contribs) m (Reverted edits by 83.149.19.6 (Talk); changed back to last version by Carl McBride) |
||
| Line 3: | Line 3: | ||
{| style="width:75%; height:100px" border="1" | {| style="width:75%; height:100px" border="1" | ||
|- | |- | ||
| r (OH) ( | | r (OH) (Å)|| <math>\angle</math>HOH , deg|| <math>\sigma</math> (Å)|| <math>\epsilon/k</math> (K)|| q(O) (e) || q(H) (e) || q(M) (e) || r (OM) (Å) | ||
|- | |||
| 0.9572 || 104.52 || 3.154 || 78.0 || 0 || 0.52 || -2q(H) || 0.15 | |||
|} | |||
==See also== | |||
*[[TIP4P/2005]] | |||
==References== | |||
#[http://dx.doi.org/10.1063/1.445869 William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics '''79''' pp. 926-935 (1983)] | |||
[[category:models]] | |||
[[category:water]] | |||
Revision as of 15:41, 4 July 2007
The TIP4P is a rigid planar model of water, having a similar geometry to the Bernal and Fowler (BF) model.
Parameters
| r (OH) (Å) | Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \angle} HOH , deg | (Å) | Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon/k} (K) | q(O) (e) | q(H) (e) | q(M) (e) | r (OM) (Å) |
| 0.9572 | 104.52 | 3.154 | 78.0 | 0 | 0.52 | -2q(H) | 0.15 |
