Number of the records: 1
Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl
- 1.0360756 - ÚCHP 2012 RIV US eng J - Journal Article
Moučka, F. - Lísal, Martin - Škvor, J. - Jirsák, Jan - Nezbeda, Ivo - Smith, W.R.
Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl.
Journal of Physical Chemistry B. Roč. 115, č. 24 (2011), s. 7849-7861. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701
Grant - others:COST(XE) TD0802; NSERC(CA) OGP1041
Institutional research plan: CEZ:AV0Z40720504
Keywords : new methodology monte carlo * concentration curves * aqueous electrolytes
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.696, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006497
Number of the records: 1