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NMR spin-rotation relaxation and diffusion of methane

The Journal of chemical physics, 2018-05, Vol.148 (20), p.204504-204504

2018

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Understanding the Thermodynamics of Hydrogen Bonding in Alcohol-Containing Mixtures: Cross-Association

The journal of physical chemistry. B, 2016-04, Vol.120 (13), p.3388-3402

2016

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Role of internal motions and molecular geometry on the NMR relaxation of hydrocarbons

The Journal of chemical physics, 2018-04, Vol.148 (16), p.164507-164507

2018

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Simulation Studies on the Role of Lauryl Betaine in Modulating the Stability of AOS Surfactant-Stabilized Foams Used in Enhanced Oil Recovery

Energy & fuels, 2017-02, Vol.31 (2), p.1512-1518

2017

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Regularizing Binding Energy Distributions and the Hydration Free Energy of Protein Cytochrome C from All-Atom Simulations

Journal of chemical theory and computation, 2012-09, Vol.8 (9), p.3409-3415

2012

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Intramolecular Interactions Overcome Hydration to Drive the Collapse Transition of Gly15

The journal of physical chemistry. B, 2017-08, Vol.121 (34), p.8078-8084

2017

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Thermodynamically dominant hydration structures of aqueous ions

The Journal of chemical physics, 2009-05, Vol.130 (19), p.195102-195102-10

2009

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Solvophobic and solvophilic contributions in the water-to-aqueous guanidinium chloride transfer free energy of model peptides

The Journal of chemical physics, 2018-06, Vol.148 (22), p.222822-222822

2018

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Importance of Hydrophilic Hydration and Intramolecular Interactions in the Thermodynamics of Helix–Coil Transition and Helix–Helix Assembly in a Deca-Alanine Peptide

The journal of physical chemistry. B, 2016-01, Vol.120 (1), p.69-76

2016

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Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute

The Journal of chemical physics, 2017-09, Vol.147 (12), p.124505-124505

2017

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Structure and thermodynamics of a mixture of patchy and spherical colloids: A multi-body association theory with complete reference fluid information

The Journal of chemical physics, 2016-08, Vol.145 (7), p.074904-074904

2016

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Apolar Behavior of Hydrated Calcite (101̅4) Surface Assists in Naphthenic Acid Adsorption

Energy & fuels, 2019-07, Vol.33 (7), p.6119-6125

2019

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Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic Interactions

The journal of physical chemistry. B, 2016-03, Vol.120 (8), p.1864-1870

2016

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Communication: Regularizing binding energy distributions and thermodynamics of hydration: Theory and application to water modeled with classical and ab initio simulations

The Journal of chemical physics, 2011-11, Vol.135 (18), p.181101-181101-4

2011

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Absolute hydration free energies of ions, ion–water clusters, and quasichemical theory

The Journal of chemical physics, 2003-08, Vol.119 (5), p.2702-2708

2003

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Role of attractive methane-water interactions in the potential of mean force between methane molecules in water

The Journal of chemical physics, 2008-06, Vol.128 (24), p.244512-244512

2008

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Communication: Thermodynamics of water modeled using ab initio simulations

The Journal of chemical physics, 2010-10, Vol.133 (14), p.141101-141101-4

2010

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A cluster size distribution theory to study the thermodynamics and phase behavior of multi-bonding single site solutes in patchy colloidal mixtures

Soft matter, 2018, Vol.14 (36), p.7469-7482

2018

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Erratum: “Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute” [J. Chem. Phys. 147, 124505 (2017)]

The Journal of chemical physics, 2017-11, Vol.147 (19), p.199901-199901

2017

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Role of Solute Attractive Forces in the Atomic-Scale Theory of Hydrophobic Effects

The journal of physical chemistry. B, 2018-06, Vol.122 (23), p.6272-6276

2018

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Polymorphic Protein Crystal Growth: Influence of Hydration and Ions in Glucose Isomerase

Crystal growth & design, 2014-01, Vol.14 (1), p.46-57

2014

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Electrostatic and induction effects in the solubility of water in alkanes

The Journal of chemical physics, 2017-08, Vol.147 (7), p.074506-074506

2017

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Intramolecular Interactions Overcome Hydration to Drive the Collapse Transition of Gly 15

The journal of physical chemistry. B, 2017-08, Vol.121 (34), p.8078-8084

2017

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Solvation Free Energy of the Peptide Group: Its Model Dependence and Implications for the Additive-Transfer Free-Energy Model of Protein Stability

Biophysical journal, 2013-09, Vol.105 (6), p.1482-1490

2013

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Single ion hydration free energies: A consistent comparison between experiment and classical molecular simulation

The Journal of chemical physics, 2008-11, Vol.129 (20), p.204501-204501-6

2008

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NMR spin-rotation relaxation and diffusion of methane

Understanding the Thermodynamics of Hydrogen Bonding in Alcohol-Containing Mixtures: Cross-Association

Role of internal motions and molecular geometry on the NMR relaxation of hydrocarbons

Simulation Studies on the Role of Lauryl Betaine in Modulating the Stability of AOS Surfactant-Stabilized Foams Used in Enhanced Oil Recovery

Regularizing Binding Energy Distributions and the Hydration Free Energy of Protein Cytochrome C from All-Atom Simulations

Intramolecular Interactions Overcome Hydration to Drive the Collapse Transition of Gly15

Thermodynamically dominant hydration structures of aqueous ions

Solvophobic and solvophilic contributions in the water-to-aqueous guanidinium chloride transfer free energy of model peptides

Importance of Hydrophilic Hydration and Intramolecular Interactions in the Thermodynamics of Helix–Coil Transition and Helix–Helix Assembly in a Deca-Alanine Peptide

Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute

Structure and thermodynamics of a mixture of patchy and spherical colloids: A multi-body association theory with complete reference fluid information

Apolar Behavior of Hydrated Calcite (101̅4) Surface Assists in Naphthenic Acid Adsorption

Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic Interactions

Communication: Regularizing binding energy distributions and thermodynamics of hydration: Theory and application to water modeled with classical and ab initio simulations

Absolute hydration free energies of ions, ion–water clusters, and quasichemical theory

Role of attractive methane-water interactions in the potential of mean force between methane molecules in water

Communication: Thermodynamics of water modeled using ab initio simulations

A cluster size distribution theory to study the thermodynamics and phase behavior of multi-bonding single site solutes in patchy colloidal mixtures

Erratum: “Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute” [J. Chem. Phys. 147, 124505 (2017)]

Role of Solute Attractive Forces in the Atomic-Scale Theory of Hydrophobic Effects

Polymorphic Protein Crystal Growth: Influence of Hydration and Ions in Glucose Isomerase

Electrostatic and induction effects in the solubility of water in alkanes

Intramolecular Interactions Overcome Hydration to Drive the Collapse Transition of Gly 15

Solvation Free Energy of the Peptide Group: Its Model Dependence and Implications for the Additive-Transfer Free-Energy Model of Protein Stability

Single ion hydration free energies: A consistent comparison between experiment and classical molecular simulation

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