Editing NERD force field
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The '''NERD''' force field for [[Realistic models# | {{stub-general}} | ||
parameters show a certain similitude to other alkane parameter sets, | The '''NERD''' force field for [[Realistic models#alkanes |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== | ==References== | ||
#[http://dx.doi.org/10.1063/1.476429 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)] | #[http://dx.doi.org/10.1063/1.476429 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)] | ||
#[http://dx.doi.org/10.1063/1.472291 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)] | #[http://dx.doi.org/10.1063/1.472291 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)] | ||
#[http://dx.doi.org/10.1063/1.479283 A. Lopez Rodriguez, C. Vega and J. J. Freire "Determination of potential parameters for alkanes", Journal of Chemical Physics '''111''' pp. 438- (1999)] | #[http://dx.doi.org/10.1063/1.479283 A. Lopez Rodriguez, C. Vega and J. J. Freire "Determination of potential parameters for alkanes", Journal of Chemical Physics '''111''' pp. 438- (1999)] | ||
[[category:Force fields]] | [[category:Force fields]] |