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- W2053248230 abstract "The excess free energy and entropy of three water models (ST2, MCY and SPC) are determined using Monte Carlo thermodynamic integration, with soft spheres as a reference system. The method used is compared with two other methods, the umbrella sampling and the overlap ratio methods. A simple self check for the umbrella sampling method is proposed." @default.
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- W2053248230 title "Excess free energy of different water models computed by Monte Carlo methods" @default.
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- W2053248230 doi "https://doi.org/10.1080/00268978200100992" @default.
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