Search Results - "Chialvo, Ariel A" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

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

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

by Chialvo, Ariel A, Vlcek, Lukas
Published in Journal of physical chemistry. C (14.04.2016)

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

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

by Vlcek, Lukas, Chialvo, Ariel A, Cole, David R
Published in The journal of physical chemistry. B (14.07.2011)

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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

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

by Chialvo, Ariel A, Moucka, Filip, Vlcek, Lukas, Nezbeda, Ivo
Published in The journal of physical chemistry. B (16.04.2015)

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

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

by Chialvo, Ariel A, Vlcek, Lukas, Cummings, Peter T
Published in Journal of physical chemistry. C (28.08.2014)

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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

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

by Paricaud, Patrice, Predota, Milan, Chialvo, Ariel A, Cummings, Peter T
Published in The Journal of chemical physics (22.06.2005)

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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

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

by Chialvo, Ariel A.
Published in The journal of physical chemistry. B (30.05.2024)

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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

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

by Chialvo, Ariel A.
Published in The journal of physical chemistry. B (21.12.2023)

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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

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

by Chialvo, Ariel A.
Published in The journal of physical chemistry. B (16.06.2022)

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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

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

by Chialvo, Ariel A
Published in The journal of physical chemistry. B (10.09.2020)

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

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

by Chialvo, Ariel A, Horita, Juske
Published in The Journal of chemical physics (21.08.2010)

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

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

by Chialvo, Ariel A
Published in The journal of physical chemistry. B (04.04.2019)

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Gas solubility in dilute solutions: A novel molecular thermodynamic perspective

Gas solubility in dilute solutions: A novel molecular thermodynamic perspective

by Chialvo, Ariel A
Published in The Journal of chemical physics (07.05.2018)

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Simulated water adsorption in chemically heterogeneous carbon nanotubes

Simulated water adsorption in chemically heterogeneous carbon nanotubes

by Striolo, Alberto, Chialvo, Ariel A, Cummings, Peter T, Gubbins, Keith E
Published in The Journal of chemical physics (21.02.2006)

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Linking Solution Microstructure and Solvation Thermodynamics of Mixed-Solvent Systems: Formal Results, Critical Observations, and Modeling Pitfalls

Linking Solution Microstructure and Solvation Thermodynamics of Mixed-Solvent Systems: Formal Results, Critical Observations, and Modeling Pitfalls

by Chialvo, Ariel A.
Published in Thermo (22.09.2024)

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

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

by Chialvo, Ariel A.
Published in Fluid phase equilibria (25.08.2018)

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On the Solute-Induced Structure-Making/Breaking Phenomena: Myths, Verities, and Misuses in Solvation Thermodynamics

On the Solute-Induced Structure-Making/Breaking Phenomena: Myths, Verities, and Misuses in Solvation Thermodynamics

by Chialvo, Ariel A.
Published in Liquids (03.09.2024)

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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

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

by Chialvo, Ariel A, Crisalle, Oscar D
Published in The journal of physical chemistry. B (04.11.2021)

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

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

by Yezdimer, Eric M, Cummings, Peter T, Chialvo, Ariel A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.08.2002)

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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

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

by Chialvo, Ariel A, Crisalle, Oscar D
Published in The journal of physical chemistry. B (17.06.2021)

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

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

by Vlcek, Lukas, Chialvo, Ariel A.
Published in Fluid phase equilibria (01.01.2016)

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