The density of liquid propane has been estimated using molecular dynamics calculations performed on the EGEEGrid distributed platform and adopting an OPLS/AMBER force field. The difficulty of determining the pressure of the system using the same sample and the same distribution model has motivated us to develop an alternative approach.
An alternative distribution model for the Molecular Dynamics study of liquid Propane on a grid platform
COSTANTINI, ALESSANDRO;LAGANA', Antonio;PACIFICI, Leonardo;GERVASI, Osvaldo
2007
Abstract
The density of liquid propane has been estimated using molecular dynamics calculations performed on the EGEEGrid distributed platform and adopting an OPLS/AMBER force field. The difficulty of determining the pressure of the system using the same sample and the same distribution model has motivated us to develop an alternative approach.File in questo prodotto:
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