| 1 |
On the Solvation Thermodynamics Involving Species with Large Intermolecular Asymmetries: A Rigorous Molecular-Based Approach to Simple Systems with Unconventionally Complex Behaviors
Chialvo AA
Journal of Physical Chemistry B, 124(36), 7879, 2020 |
| 2 |
Solvation behavior of solutes in dilute solutions novel formal results, rules of thumb, and potential modeling pitfalls
Chialvo AA, Crisalle OD
Fluid Phase Equilibria, 496, 17, 2019 |
| 3 |
On the Solute-Induced Structure-Making/Breaking Effect: Rigorous Links among Microscopic Behavior, Solvation Properties, and Solution Non-Ideality
Chialvo AA
Journal of Physical Chemistry B, 123(13), 2930, 2019 |
| 4 |
On the solubility of gases in dilute solutions: Organic food for thoughts from a molecular thermodynamic perspective
Chialvo AA
Fluid Phase Equilibria, 472, 94, 2018 |
| 5 |
On fundamentally-based and thermodynamically-consistent description of dilute multicomponent solutions: Formal results, microscopic interpretations, and modeling implications
Chialvo AA
Fluid Phase Equilibria, 470, 2, 2018 |
| 6 |
Single-ion hydration thermodynamics from clusters to bulk solutions: Recent insights from molecular modeling
Vlcek L, Chialvo AA
Fluid Phase Equilibria, 407, 58, 2016 |
| 7 |
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 |
| 8 |
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 |
| 9 |
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 |
| 10 |
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 |
