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The Journal of Chemical Physics|April 26, 2013
Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitationsFilip Moučka, Ivo Nezbeda, William R SmithThe Journal of Chemical Physics|October 5, 2013
Molecular simulation of aqueous electrolytes: water chemical potential results and Gibbs-Duhem equation consistency testsFilip Moučka, Ivo Nezbeda, William R SmithJournal of Chemical Theory and Computation|November 18, 2015
Chemical Potentials, Activity Coefficients, and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force FieldsFilip Moučka, Ivo Nezbeda, William R SmithJournal of Chemical Theory and Computation|November 20, 2015
Molecular Force Field Development for Aqueous Electrolytes: 1. Incorporating Appropriate Experimental Data and the Inadequacy of Simple Electrolyte Force Fields Based on Lennard-Jones and Point Charge Interactions with Lorentz-Berthelot RulesFilip Moučka, Ivo Nezbeda, William R SmithThe Journal of Chemical Physics|January 5, 2017
Thermodynamics of supersaturated steam: Molecular simulation resultsFilip Moučka, Ivo NezbedaThe Journal of Physical Chemistry. B|June 2, 2011
Molecular simulation of aqueous electrolyte solubility. 2. Osmotic ensemble Monte Carlo methodology for free energy and solubility calculations and application to NaClFilip Moučka, Martin Lísal, Jiří Škvor, et al.The Journal of Physical Chemistry. B|April 6, 2012
Molecular simulation of aqueous electrolyte solubility. 3. Alkali-halide salts and their mixtures in water and in hydrochloric acidFilip Moučka, Martin Lísal, William R SmithThe Journal of Chemical Physics|July 24, 2017
Molecular simulation of caloric properties of fluids modelled by force fields with intramolecular contributions: Application to heat capacitiesWilliam R Smith, Jan Jirsák, Ivo Nezbeda, et al.The Journal of Chemical Physics|June 17, 2018
Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjariteFilip Moučka, Jiří Kolafa, Martin Lísal, et al.The Journal of Chemical Physics|May 20, 2026
Anomalous thermodynamic properties of water: What is wrong and/or missing in SAFT equations?Ivo NezbedaPageof 10