SPC/F2 model of water
The SPC/F2 model is a modified version of the flexible simple point-charge model SPC/F for water (Ref. 1).
Heat capacity
The heat capacity of the SPC/F2 model has been calculated by Shiga and Shinoda (Ref. 2).
References
- J. Lobaugh and Gregory A. Voth "A quantum model for water: Equilibrium and dynamical properties", Journal of Chemical Physics 106 pp. 2400- (1997)
- Motoyuki Shiga and Wataru Shinoda "Calculation of heat capacities of light and heavy water by path-integral molecular dynamics", Journal of Chemical Physics 123 134502 (2005)