| 1 |
Decoding Oxyanion Aqueous Solvation Structure: A Potassium Nitrate Example at Saturation
Wang HW, Vlcek L, Neuefeind JC, Page K, Irle S, Simonson JM, Stack AG
Journal of Physical Chemistry B, 122(30), 7584, 2018 |
| 2 |
Single-ion hydration thermodynamics from clusters to bulk solutions: Recent insights from molecular modeling
Vlcek L, Chialvo AA
Fluid Phase Equilibria, 407, 58, 2016 |
| 3 |
Toward the understanding of hydration phenomena in aqueous electrolytes from the interplay of theory, molecular simulation, and experiment
Chialvo AA, Vlcek L
Fluid Phase Equilibria, 407, 84, 2016 |
| 4 |
Thermodynamics of Small Alkali Metal Halide Cluster Ions: Comparison of Classical Molecular Simulations with Experiment and Quantum Chemistry
Vlcek L, Uhlik F, Moucka F, Nezbeda I, Chialvo AA
Journal of Physical Chemistry A, 119(3), 488, 2015 |
| 5 |
NO3- Coordination in Aqueous Solutions by N-15/N-14 and O-18/O-nat Isotopic Substitution: What Can We Learn from Molecular Simulation?
Chialvo AA, Vlcek L
Journal of Physical Chemistry B, 119(2), 519, 2015 |
| 6 |
Vapor-Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization
Chialvo AA, Moucka F, Vlcek L, Nezbeda I
Journal of Physical Chemistry B, 119(15), 5010, 2015 |
| 7 |
Ewald Summation Approach to Potential Models of Aqueous Electrolytes Involving Gaussian Charges and Induced Dipoles: Formal and Simulation Results
Chialvo AA, Vlcek L
Journal of Physical Chemistry B, 118(47), 13658, 2014 |
| 8 |
Correspondence between Cluster-Ion and Bulk Solution Thermodynamic Properties: On the Validity of the Cluster-Pair-Based Approximation
Vlcek L, Chialvo AA, Simonson JM
Journal of Physical Chemistry A, 117(44), 11328, 2013 |
| 9 |
Structure and Stability of SnO2 Nanocrystals and Surface-Bound Water Species
Wang HW, Wesolowski DJ, Proffen TE, Vlcek L, Wang W, Allard LF, Kolesnikov AI, Feygenson M, Anovitz LM, Paul RL
Journal of the American Chemical Society, 135(18), 6885, 2013 |
| 10 |
Dynamic and Structural Properties of Room-Temperature Ionic Liquids near Silica and Carbon Surfaces
Li S, Han KS, Feng G, Hagaman EW, Vlcek L, Cummings PT
Langmuir, 29(31), 9744, 2013 |
