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The Journal of Chemical Physics|January 5, 2017
Thermodynamics of supersaturated steam: Molecular simulation resultsFilip Moučka, Ivo NezbedaPhysical Chemistry Chemical Physics : PCCP|June 15, 2017
Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulationsFilip Moučka, Martin Svoboda, Martin LísalJournal of Chemical Theory and Computation|May 13, 2020
Molecular Force Field Development for Aqueous Electrolytes: 2. Polarizable Models Incorporating Crystalline Chemical Potential and Their Accurate Simulations of Halite, Hydrohalite, Aqueous Solutions of NaCl, and SolubilityJan Dočkal, Martin Lísal, Filip MoučkaThe Journal of Chemical Physics|September 1, 2022
Molecular dynamics of preferential adsorption in mixed alkali-halide electrolytes at graphene electrodesJan Dočkal, Martin Lísal, Filip MoučkaThe Journal of Chemical Physics|August 5, 2025
Thermochemical properties of anhydrous crystals and molten alkali metal halide salts from molecular simulations of phase-transferable polarizable force fieldsPavlína Mimrová, Jan Dočkal, Filip MoučkaThe 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 SmithThe 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 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 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 SmithPageof 2