Efficient simulation of chemical potentials and phase equilibria in associating fluids: monomer/dimer insertion versus gradual particle insertion in primitive water models

Author: Vörtler Horst L.   Kettler Matthias  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.104, Iss.2, 2006-01, pp. : 233-241

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Abstract