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The Journal of Physical Chemistry. B|December 17, 2014
NO3(-) coordination in aqueous solutions by (15)N/(14)N and (18)O/(nat)O isotopic substitution: what can we learn from molecular simulation?Ariel A Chialvo, Lukas VlcekThe Journal of Chemical Physics|October 17, 2015
Rigorous force field optimization principles based on statistical distance minimizationLukas Vlcek, Ariel A ChialvoThe Journal of Physical Chemistry. B|November 4, 2014
Ewald summation approach to potential models of aqueous electrolytes involving gaussian charges and induced dipoles: formal and simulation resultsAriel A Chialvo, Lukas VlcekThe Journal of Physical Chemistry. B|June 8, 2011
Optimized unlike-pair interactions for water-carbon dioxide mixtures described by the SPC/E and EPM2 modelsLukas Vlcek, Ariel A Chialvo, David R ColeThe Journal of Physical Chemistry. A|October 8, 2013
Correspondence between cluster-ion and bulk solution thermodynamic properties: on the validity of the cluster-pair-based approximationLukas Vlcek, Ariel A Chialvo, J Michael SimonsonThe Journal of Physical Chemistry. B|March 25, 2015
Vapor-liquid equilibrium and polarization behavior of the GCP water model: Gaussian charge-on-spring versus dipole self-consistent field approaches to induced polarizationAriel A Chialvo, Filip Moucka, Lukas Vlcek, et al.The Journal of Physical Chemistry. A|December 17, 2014
Thermodynamics of small alkali metal halide cluster ions: comparison of classical molecular simulations with experiment and quantum chemistryLukas Vlcek, Filip Uhlik, Filip Moucka, et al.The Journal of Chemical Physics|August 27, 2025
On the anomalous behavior of aqueous solutions: Rigorous formal results and the unraveling of their microstructural originAriel A ChialvoThe Journal of Physical Chemistry. B|February 23, 2019
On the Solute-Induced Structure-Making/Breaking Effect: Rigorous Links among Microscopic Behavior, Solvation Properties, and Solution Non-IdealityAriel A ChialvoThe Journal of Physical Chemistry. B|August 14, 2020
On the Solvation Thermodynamics Involving Species with Large Intermolecular Asymmetries: A Rigorous Molecular-Based Approach to Simple Systems with Unconventionally Complex BehaviorsAriel A ChialvoPageof 5