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Dual Control Cell Reaction Ensemble Molecular Dynamics: A Method for Simulations of Reactions and Adsorption in Porous Materials

  1. 1.
    Lísal, M., Brennan, J. K., Smith, W. R., Siperstein, F. R. Dual Control Cell Reaction Ensemble Molecular Dynamics: A Method for Simulations of Reactions and Adsorption in Porous Materials. Journal of Chemical Physics. 2004, 121(10), 4901-4912. ISSN 0021-9606. E-ISSN 1089-7690.
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