Preferential sampling near solutes in mo
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J.C. Owicki; H.A. Scheraga
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Article
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1977
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Elsevier Science
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English
โ 278 KB
algorithm is described which concentrates sampling in the neighborhood of the solute molecule in cahxhtions on dilute solutions\_ This improves the computational efficiency in the determination of many solution properties. Dilute solutions can be modeled by Monte Carlo computer calculations in a sy