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Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl
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SYSNO 0360756 Title Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl Author(s) Moučka, F. (CZ)
Lísal, Martin (UCHP-M) RID, ORCID, SAI
Škvor, J. (CZ)
Jirsák, Jan (UCHP-M) RID, ORCID, SAI
Nezbeda, Ivo (UCHP-M) RID, ORCID, SAI
Smith, W.R. (CA)Source Title Journal of Physical Chemistry B. Roč. 115, č. 24 (2011), s. 7849-7861. - : American Chemical Society Document Type Článek v odborném periodiku Grant GA203/08/0094 GA ČR - Czech Science Foundation (CSF) KAN400720701 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) TD0802, XE - EU countries OGP1041, CA - Canada CEZ AV0Z40720504 - UCHP-M (2005-2011) Language eng Country US Keywords new methodology monte carlo * concentration curves * aqueous electrolytes Permanent Link http://hdl.handle.net/11104/0006497
Number of the records: 1