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Dual Control Cell Reaction Ensemble Molecular Dynamics: A Method for Simulations of Reactions and Adsorption in Porous Materials
- 1.0104863 - 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