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

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    0104863 - UCHP-M 20040117 RIV US eng J - Journal Article
    Lísal, Martin - 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.
    [Molekulární dynamika v reakčním souboru. Simulace reakce a adsorpce v porézních materiálech.]
    Journal of Chemical Physics. Roč. 121, č. 10 (2004), s. 4901-4912. ISSN 0021-9606. E-ISSN 1089-7690
    R&D Projects: GA ČR GA203/02/0805; GA AV ČR IAA4072309
    Grant - others:NRCC(CA) OGP 1041
    Institutional research plan: CEZ:AV0Z4072921
    Keywords : molecular dynamics * adsorption * porous
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 3.105, year: 2004
    Permanent Link: http://hdl.handle.net/11104/0012124
     
Number of the records: 1  

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