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• W2151012235 abstract "Configurational-bias Monte Carlo sampling techniques have been developed which overcome the difficulties of sampling configuration space efficiently for all-atom molecular models and for branched species represented with united atom models. Implementation details of this sampling scheme are discussed. The accuracy of a united atom forcefield with non-bond parameters optimized for zeolite adsorption and a widely used all-atom forcefield are evaluated by comparison with experimental sorption isotherms of linear and branched hydrocarbons." @default.
• W2151012235 created "2016-06-24" @default.
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• W2151012235 date "1999-05-10" @default.
• W2151012235 modified "2023-10-07" @default.
• W2151012235 title "A biased grand canonical Monte Carlo method for simulating adsorption using all-atom and branched united atom models" @default.
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• W2151012235 doi "https://doi.org/10.1080/00268979909483082" @default.
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