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BIGMAC


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OS: Linux, ...

License: Freeware, GPL





Configurational Bias Monte Carlo (CBMC) is a recent technique to compute thermodynamic properties of flexible molecules. It has been used by several academic groups to study the adsorption behavior of linear and branched alkanes in zeolites and the vapor-liquid equilibrium of linear and branched alkanes.

http://molsim.chem.uva.nl/bigmac/



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