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Can We Describe Graphene Confined Water Structures as Overlapping of Approaching Graphene–Water Interfacial Structures?

Journal of physical chemistry. C, 2016-04, Vol.120 (14), p.7553-7561

2016

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Preferential Solvation Phenomena as Solute-Induced Structure-Making/Breaking Processes: Linking Thermodynamic Preferential Interaction Parameters to Fundamental Structure Making/Breaking Functions

The journal of physical chemistry. B, 2024-05, Vol.128 (21), p.5228-5245

Chialvo, Ariel A.

2024

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On the Elusive Links between Solution Microstructure, Dynamics, and Solvation Thermodynamics: Demystifying the Path through a Bridge over Troubled Conjectures and Misinterpretations

The journal of physical chemistry. B, 2023-12, Vol.127 (50), p.10792-10813

Chialvo, Ariel A.

2023

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Optimized Unlike-Pair Interactions for Water–Carbon Dioxide Mixtures Described by the SPC/E and EPM2 Models

The journal of physical chemistry. B, 2011-07, Vol.115 (27), p.8775-8784

2011

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Molecular-Based Description of the Osmotic Second Virial Coefficients of Electrolytes: Rigorous Formal Links to Solute−Solvent Interaction Asymmetry, Virial Expansion Paths, and Experimental Evidence

The journal of physical chemistry. B, 2022-06, Vol.126 (23), p.4339-4353

Chialvo, Ariel A.

2022

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From dimer to condensed phases at extreme conditions: accurate predictions of the properties of water by a Gaussian charge polarizable model

The Journal of chemical physics, 2005-06, Vol.122 (24), p.244511-244511

2005

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Vapor–Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization

The journal of physical chemistry. B, 2015-04, Vol.119 (15), p.5010-5019

2015

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On the Solvation Thermodynamics Involving Species with Large Intermolecular Asymmetries: A Rigorous Molecular-Based Approach to Simple Systems with Unconventionally Complex Behaviors

The journal of physical chemistry. B, 2020-09, Vol.124 (36), p.7879-7896

Chialvo, Ariel A

2020

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Understanding controls on interfacial wetting at epitaxial graphene: Experiment and theory

Physical review. B, Condensed matter and materials physics, 2012-01, Vol.85 (3), Article 035406

2012

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Surface Strain Effects on the Water–Graphene Interfacial and Confinement Behavior

Journal of physical chemistry. C, 2014-08, Vol.118 (34), p.19701-19711

2014

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On the Solute-Induced Structure-Making/Breaking Effect: Rigorous Links among Microscopic Behavior, Solvation Properties, and Solution Non-Ideality

The journal of physical chemistry. B, 2019-04, Vol.123 (13), p.2930-2947

Chialvo, Ariel A

2019

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NO3 – Coordination in Aqueous Solutions by 15N/14N and 18O/natO Isotopic Substitution: What Can We Learn from Molecular Simulation?

The journal of physical chemistry. B, 2015-01, Vol.119 (2), p.519-531

2015

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Gas solubility in dilute solutions: A novel molecular thermodynamic perspective

The Journal of chemical physics, 2018-05, Vol.148 (17), p.174502-174502

Chialvo, Ariel A.

2018

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Polarization behavior of water in extreme aqueous environments:A molecular dynamics study based on the Gaussian charge polarizable water model

The Journal of chemical physics, 2010-08, Vol.133 (7), p.074504-074504-10

2010

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On fundamentally-based and thermodynamically-consistent description of dilute multicomponent solutions: Formal results, microscopic interpretations, and modeling implications

Fluid phase equilibria, 2018-08, Vol.470, p.2-16

Chialvo, Ariel A.

2018

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Can Jones–Dole’s B‑Coefficient be a Consistent Structure-Making/Breaking Marker? Rigorous Molecular-Based Analysis and Critical Assessment of Its Marker Uniqueness

The journal of physical chemistry. B, 2021-11, Vol.125 (43), p.12028-12041

2021

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Osmolyte-Induced Effects on the Hydration Behavior and the Osmotic Second Virial Coefficients of Alkyl-Substituted Urea Derivatives: Critical Assessment of Their Structure-Making/Breaking Behavior

The journal of physical chemistry. B, 2021-06, Vol.125 (23), p.6231-6243

2021

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Simulated water adsorption in chemically heterogeneous carbon nanotubes

The Journal of chemical physics, 2006-02, Vol.124 (7), p.074710-074710-11

2006

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Single-ion hydration thermodynamics from clusters to bulk solutions: Recent insights from molecular modeling

Fluid phase equilibria, 2016-01, Vol.407 (C), p.58-75

2016

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Rigorous force field optimization principles based on statistical distance minimization

The Journal of chemical physics, 2015-10, Vol.143 (14), p.144110-144110

2015

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Behaviour of rarified steam at very high temperature an orientation-averaged interaction potential approach towards its accurate description

Molecular physics, 2019-12, Vol.117 (23-24), p.3922-3940

2019

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Determination of the Gibbs Free Energy of Gas Replacement in SI Clathrate Hydrates by Molecular Simulation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-08, Vol.106 (34), p.7982-7987

2002

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On the behavior of the osmotic second virial coefficients of gases in aqueous solutions: Rigorous results, accurate approximations, and experimental evidence

The Journal of chemical physics, 2019-03, Vol.150 (12), p.124503-124503

2019

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Solute-induced effects in solvation thermodynamics: does urea behave as a structure-making or structure-breaking solute?

Molecular physics, 2019-12, Vol.117 (23-24), p.3484-3492

2019

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Toward the understanding of hydration phenomena in aqueous electrolytes from the interplay of theory, molecular simulation, and experiment

Fluid phase equilibria, 2016-01, Vol.407 (C), p.84-104

2016

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Can We Describe Graphene Confined Water Structures as Overlapping of Approaching Graphene–Water Interfacial Structures?

Preferential Solvation Phenomena as Solute-Induced Structure-Making/Breaking Processes: Linking Thermodynamic Preferential Interaction Parameters to Fundamental Structure Making/Breaking Functions

On the Elusive Links between Solution Microstructure, Dynamics, and Solvation Thermodynamics: Demystifying the Path through a Bridge over Troubled Conjectures and Misinterpretations

Optimized Unlike-Pair Interactions for Water–Carbon Dioxide Mixtures Described by the SPC/E and EPM2 Models

Molecular-Based Description of the Osmotic Second Virial Coefficients of Electrolytes: Rigorous Formal Links to Solute−Solvent Interaction Asymmetry, Virial Expansion Paths, and Experimental Evidence

From dimer to condensed phases at extreme conditions: accurate predictions of the properties of water by a Gaussian charge polarizable model

Vapor–Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization

On the Solvation Thermodynamics Involving Species with Large Intermolecular Asymmetries: A Rigorous Molecular-Based Approach to Simple Systems with Unconventionally Complex Behaviors

Understanding controls on interfacial wetting at epitaxial graphene: Experiment and theory

Surface Strain Effects on the Water–Graphene Interfacial and Confinement Behavior

On the Solute-Induced Structure-Making/Breaking Effect: Rigorous Links among Microscopic Behavior, Solvation Properties, and Solution Non-Ideality

NO3 – Coordination in Aqueous Solutions by 15N/14N and 18O/natO Isotopic Substitution: What Can We Learn from Molecular Simulation?

Gas solubility in dilute solutions: A novel molecular thermodynamic perspective

Polarization behavior of water in extreme aqueous environments:A molecular dynamics study based on the Gaussian charge polarizable water model

On fundamentally-based and thermodynamically-consistent description of dilute multicomponent solutions: Formal results, microscopic interpretations, and modeling implications

Can Jones–Dole’s B‑Coefficient be a Consistent Structure-Making/Breaking Marker? Rigorous Molecular-Based Analysis and Critical Assessment of Its Marker Uniqueness

Osmolyte-Induced Effects on the Hydration Behavior and the Osmotic Second Virial Coefficients of Alkyl-Substituted Urea Derivatives: Critical Assessment of Their Structure-Making/Breaking Behavior

Simulated water adsorption in chemically heterogeneous carbon nanotubes

Single-ion hydration thermodynamics from clusters to bulk solutions: Recent insights from molecular modeling

Rigorous force field optimization principles based on statistical distance minimization

Behaviour of rarified steam at very high temperature an orientation-averaged interaction potential approach towards its accurate description

Determination of the Gibbs Free Energy of Gas Replacement in SI Clathrate Hydrates by Molecular Simulation

On the behavior of the osmotic second virial coefficients of gases in aqueous solutions: Rigorous results, accurate approximations, and experimental evidence

Solute-induced effects in solvation thermodynamics: does urea behave as a structure-making or structure-breaking solute?

Toward the understanding of hydration phenomena in aqueous electrolytes from the interplay of theory, molecular simulation, and experiment

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