NERD force field

From SklogWiki
Revision as of 10:51, 25 July 2008 by Carl McBride (talk | contribs) (A first save.)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search
This article is a 'stub' page, 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 sufficient material to this article then please remove the {{Stub-general}} template from this page.

The NERD force field for alkanes was developed by Nath, Escobedo, and de Pablo (Ref. 1). The NERD parameters show a certain similitude to other alkane parameter sets, for example Refs. 2 and 3.

References

  1. Shyamal K. Nath, Fernando A. Escobedo, and Juan J. de Pablo "On the simulation of vapor–liquid equilibria for alkanes", Journal of Chemical Physics 108 pp. 9905- (1998)
  2. Carlos Vega and Antonio López Rodríguez "Second virial coefficients, critical temperatures, and the molecular shapes of long n-alkanes", Journal of Chemical Physics 105 pp. 4223- (1996)
  3. A. Lopez Rodriguez, C. Vega and J. J. Freire "Determination of potential parameters for alkanes", Journal of Chemical Physics 111 pp. 438- (1999)
Retrieved from "http://www.sklogwiki.org/SklogWiki/index.php?title=NERD_force_field&oldid=6916"