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New Vapor-Pressure Prediction with Improved Thermodynamic Consistency using the Riedel Equation

Industrial & engineering chemistry research, 2017-12, Vol.56 (49), p.14678-14685

2017

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Improved Estimates of the Critical Point Constants for Large n‑Alkanes Using Gibbs Ensemble Monte Carlo Simulations

Journal of chemical and engineering data, 2016-10, Vol.61 (10), p.3640-3649

2016

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Experimental Determination and Re-examination of the Effect of Initial Temperature on the Lower Flammability Limit of Pure Liquids

Journal of chemical and engineering data, 2010-09, Vol.55 (9), p.3063-3067

2010

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MP2 Study on Water Adsorption on Cluster Models of Cu(111)

The journal of physical chemistry. B, 2004-02, Vol.108 (8), p.2614-2619

2004

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An improved statistical analysis for predicting the critical temperature and critical density with Gibbs ensemble Monte Carlo simulation

The Journal of chemical physics, 2015-09, Vol.143 (10), p.104101-104101

2015

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An improved approach for predicting the critical constants of large molecules with Gibbs Ensemble Monte Carlo simulation

Fluid phase equilibria, 2016-10, Vol.425, p.432-442

2016

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The Riedel vapor pressure correlation and multi-property optimization

Fluid phase equilibria, 2016-12, Vol.429, p.149-165

2016

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Predicting Temperature-Dependent Aqueous Henry’s Law Constants Using Group Contribution Methods

Journal of chemical and engineering data, 2014-04, Vol.59 (4), p.1052-1061

2014

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The use of two-phase molecular dynamics simulations to determine the phase behavior and critical point of propane molecular models

The Journal of chemical physics, 2011-01, Vol.134 (2), p.024101-024101-8

2011

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Transient molecular dynamics simulations of liquid viscosity for nonpolar and polar fluids

The Journal of chemical physics, 2011-01, Vol.134 (2), p.024526-024526-9

2011

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Molecular-dynamics simulation of the effect of ions on a liquid-liquid interface for a partially miscible mixture

The Journal of chemical physics, 2004-04, Vol.120 (16), p.7681-7688

2004

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Quantum Chemical Interaction Energy Surfaces of Ethylene and Propene Dimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-03, Vol.109 (12), p.2866-2874

2005

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Infinite dilution activity coefficients and Henry's law constants of compounds in water using the inert gas stripping method

Fluid phase equilibria, 2013-06, Vol.348, p.45-51

2013

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Ternary Liquid–Liquid Equilibrium of Biodiesel Compounds for Systems Consisting of a Methyl Ester + Glycerin + Water

Journal of chemical and engineering data, 2013-04, Vol.58 (4), p.1001-1004

2013

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Critical and phase-equilibrium properties of an ab initio based potential model of methanol and 1-propanol using two-phase molecular dynamics simulations

The Journal of chemical physics, 2011-12, Vol.135 (23), p.234514-234514-8

2011

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A Local-Composition Model for the Prediction of Mixture Dielectric Constants

Journal of chemical and engineering data, 2011-05, Vol.56 (5), p.2430-2437

2011

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Prediction of pure-component flash points for organic compounds

Fire and materials, 2011-10, Vol.35 (6), p.343-351

2011

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A Quantitative Structure Property Relation Correlation of the Dielectric Constant for Organic Chemicals

Journal of chemical and engineering data, 2010-01, Vol.55 (1), p.41-45

2010

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Use of the DIPPR Database for Development of QSPR Correlations: Surface Tension

Journal of chemical and engineering data, 2001-09, Vol.46 (5), p.1007-1012

2001

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Critically Evaluated Database of Environmental Properties: The Importance of Thermodynamic Relationships, Chemical Family Trends, and Prediction Methods

International journal of thermophysics, 2013-11, Vol.34 (11), p.2027-2045

2013

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Model Channel Ion Currents in NaCl-Extended Simple Point Charge Water Solution with Applied-Field Molecular Dynamics

Biophysical journal, 2001-12, Vol.81 (6), p.3077-3089

2001

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Transient molecular dynamics simulations of viscosity for simple fluids

The Journal of chemical physics, 2007-11, Vol.127 (17), p.174510-174510-8

2007

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Activity coefficient prediction by osmotic molecular dynamics

Fluid phase equilibria, 2002-01, Vol.193 (1), p.53-73

2002

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MPSA effects on copper electrodeposition investigated by molecular dynamics simulations

The Journal of chemical physics, 2008-01, Vol.128 (4), p.044717-044717-12

2008

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Determination of a methane intermolecular potential model for use in molecular simulations from ab initio calculations

The Journal of chemical physics, 1999-02, Vol.110 (7), p.3368-3377

1999

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New Vapor-Pressure Prediction with Improved Thermodynamic Consistency using the Riedel Equation

Improved Estimates of the Critical Point Constants for Large n‑Alkanes Using Gibbs Ensemble Monte Carlo Simulations

Experimental Determination and Re-examination of the Effect of Initial Temperature on the Lower Flammability Limit of Pure Liquids

MP2 Study on Water Adsorption on Cluster Models of Cu(111)

An improved statistical analysis for predicting the critical temperature and critical density with Gibbs ensemble Monte Carlo simulation

An improved approach for predicting the critical constants of large molecules with Gibbs Ensemble Monte Carlo simulation

The Riedel vapor pressure correlation and multi-property optimization

Predicting Temperature-Dependent Aqueous Henry’s Law Constants Using Group Contribution Methods

The use of two-phase molecular dynamics simulations to determine the phase behavior and critical point of propane molecular models

Transient molecular dynamics simulations of liquid viscosity for nonpolar and polar fluids

Molecular-dynamics simulation of the effect of ions on a liquid-liquid interface for a partially miscible mixture

Quantum Chemical Interaction Energy Surfaces of Ethylene and Propene Dimers

Infinite dilution activity coefficients and Henry's law constants of compounds in water using the inert gas stripping method

Ternary Liquid–Liquid Equilibrium of Biodiesel Compounds for Systems Consisting of a Methyl Ester + Glycerin + Water

Critical and phase-equilibrium properties of an ab initio based potential model of methanol and 1-propanol using two-phase molecular dynamics simulations

A Local-Composition Model for the Prediction of Mixture Dielectric Constants

Prediction of pure-component flash points for organic compounds

A Quantitative Structure Property Relation Correlation of the Dielectric Constant for Organic Chemicals

Use of the DIPPR Database for Development of QSPR Correlations: Surface Tension

Critically Evaluated Database of Environmental Properties: The Importance of Thermodynamic Relationships, Chemical Family Trends, and Prediction Methods

Model Channel Ion Currents in NaCl-Extended Simple Point Charge Water Solution with Applied-Field Molecular Dynamics

Transient molecular dynamics simulations of viscosity for simple fluids

Activity coefficient prediction by osmotic molecular dynamics

MPSA effects on copper electrodeposition investigated by molecular dynamics simulations

Determination of a methane intermolecular potential model for use in molecular simulations from ab initio calculations

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