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Ab initio potential energy surfaces for the O2–O2 system and derived thermophysical properties

The Journal of chemical physics, 2023-09, Vol.159 (10)

Hellmann, Robert

2023

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Cross Second and Third Virial Coefficients and Dilute Gas Transport Properties of the (H2O + Ar) System from First-Principles Calculations

Journal of chemical and engineering data, 2024-03, Vol.69 (3), p.942-957

Hellmann, Robert

2024

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Cross Second Virial Coefficients of the H2O–H2 and H2S–H2 Systems from First-Principles

Journal of chemical and engineering data, 2023-09, Vol.68 (9), p.2212-2222

Hellmann, Robert

2023

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Eighth-Order Virial Equation of State for Methane from Accurate Two-Body and Nonadditive Three-Body Intermolecular Potentials

The journal of physical chemistry. B, 2022-06, Vol.126 (21), p.3920-3930

Hellmann, Robert

2022

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Cross Second Virial Coefficients of the H 2 O–H 2 and H 2 S–H 2 Systems from First-Principles

Journal of chemical and engineering data, 2023-09, Vol.68 (9), p.2212-2222

Hellmann, Robert

2023

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Cross Second Virial Coefficients of the H2O–H2S and H2O–SO2 Systems from First Principles

Journal of chemical and engineering data, 2023-01, Vol.68 (1), p.108-117

Hellmann, Robert

2023

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Ab initio potential energy surface for the carbon dioxide molecule pair and thermophysical properties of dilute carbon dioxide gas

Chemical physics letters, 2014-10, Vol.613, p.133-138

Hellmann, Robert

2014

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Cross Second Virial Coefficients of the H 2 O–H 2 S and H 2 O–SO 2 Systems from First Principles

Journal of chemical and engineering data, 2023-01, Vol.68 (1), p.108-117

Hellmann, Robert

2023

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Reference Values for the Cross Second Virial Coefficients and Dilute Gas Binary Diffusion Coefficients of the Systems (H2O + O2) and (H2O + Air) from First Principles

Journal of chemical and engineering data, 2020-08, Vol.65 (8), p.4130-4141

Hellmann, Robert

2020

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Reference Values for the Second Virial Coefficient and Three Dilute Gas Transport Properties of Ethane from a State-of-the-Art Intermolecular Potential Energy Surface

Journal of chemical and engineering data, 2018-02, Vol.63 (2), p.470-481

Hellmann, Robert

2018

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Intermolecular potential energy surface and thermophysical properties of propane

The Journal of chemical physics, 2017-03, Vol.146 (11), p.114304-114304

Hellmann, Robert

2017

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First-Principles Calculation of the Cross Second Virial Coefficient and the Dilute Gas Shear Viscosity, Thermal Conductivity, and Binary Diffusion Coefficient of the (H2O + N2) System

Journal of chemical and engineering data, 2019-12, Vol.64 (12), p.5959-5973

Hellmann, Robert

2019

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Cross second virial coefficient and dilute gas transport properties of the (H2O + CO2) system from first-principles calculations

Fluid phase equilibria, 2019-04, Vol.485, p.251-263

Hellmann, Robert

2019

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Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (N2 + C3H8), (C2H6 + C3H8), and (H2S + C3H8) from Ab Initio-Based Intermolecular Potentials

Journal of chemical and engineering data, 2020-09, Vol.65 (9), p.4712-4724

Hellmann, Robert

2020

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Ab initio potential energy surface for the nitrogen molecule pair and thermophysical properties of nitrogen gas

Molecular physics, 2013-02, Vol.111 (3), p.387-401

Hellmann, Robert

2013

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Nonadditive three-body potential and third to eighth virial coefficients of carbon dioxide

The Journal of chemical physics, 2017-02, Vol.146 (5), p.054302-054302

Hellmann, Robert

2017

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Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (CO2 + C2H6) and (H2S + C2H6) from Accurate Intermolecular Potential Energy Surfaces

Journal of chemical and engineering data, 2020-03, Vol.65 (3), p.968-979

Hellmann, Robert

2020

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Cross Second Virial Coefficient of the H2O–CO System from a New Ab Initio Pair Potential

International journal of thermophysics, 2022-02, Vol.43 (2), Article 25

Hellmann, Robert

2022

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Cross Second Virial Coefficients and Dilute Gas Transport Properties of the (CH4 + C3H8) and (CO2 + C3H8) Systems from Accurate Intermolecular Potential Energy Surfaces

Journal of chemical and engineering data, 2018-01, Vol.63 (1), p.246-257

Hellmann, Robert

2018

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Corrigendum to ‘‘Cross second virial coefficient and dilute gas transport properties of the (H2O + CO2) system from first-principles calculations’’ [Fluid Phase Equilib. 485 (2019) 251–263]

Fluid phase equilibria, 2020-08, Vol.518, p.112624, Article 112624

Hellmann, Robert

2020

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Correction to “First-Principles Calculation of the Cross Second Virial Coefficient and the Dilute Gas Shear Viscosity, Thermal Conductivity, and Binary Diffusion Coefficient of the (H2O + N2) System”

Journal of chemical and engineering data, 2020-04, Vol.65 (4), p.2251-2252

Hellmann, Robert

2020

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Cross second virial coefficients and dilute gas transport properties of the systems (CH4 + C2H6) and (N2 + C2H6) from accurate intermolecular potential energy surfaces

The Journal of chemical thermodynamics, 2019-07, Vol.134, p.175-186

Hellmann, Robert

2019

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Ab initio intermolecular potential energy surface and thermophysical properties of nitrous oxide

The Journal of chemical physics, 2015-06, Vol.142 (24), p.244307

2015

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Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts

Journal of the American Chemical Society, 2009-07, Vol.131 (25), p.8958-8970

2009

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Thermophysical Properties of Gaseous H2S–N2 Mixtures from First-Principles Calculations

Zeitschrift für physikalische Chemie (Neue Folge), 2019-04, Vol.233 (4), p.473-491

Hellmann, Robert

2019

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Ab initio potential energy surfaces for the O2–O2 system and derived thermophysical properties

Cross Second and Third Virial Coefficients and Dilute Gas Transport Properties of the (H2O + Ar) System from First-Principles Calculations

Cross Second Virial Coefficients of the H2O–H2 and H2S–H2 Systems from First-Principles

Eighth-Order Virial Equation of State for Methane from Accurate Two-Body and Nonadditive Three-Body Intermolecular Potentials

Cross Second Virial Coefficients of the H 2 O–H 2 and H 2 S–H 2 Systems from First-Principles

Cross Second Virial Coefficients of the H2O–H2S and H2O–SO2 Systems from First Principles

Ab initio potential energy surface for the carbon dioxide molecule pair and thermophysical properties of dilute carbon dioxide gas

Cross Second Virial Coefficients of the H 2 O–H 2 S and H 2 O–SO 2 Systems from First Principles

Reference Values for the Cross Second Virial Coefficients and Dilute Gas Binary Diffusion Coefficients of the Systems (H2O + O2) and (H2O + Air) from First Principles

Reference Values for the Second Virial Coefficient and Three Dilute Gas Transport Properties of Ethane from a State-of-the-Art Intermolecular Potential Energy Surface

Intermolecular potential energy surface and thermophysical properties of propane

First-Principles Calculation of the Cross Second Virial Coefficient and the Dilute Gas Shear Viscosity, Thermal Conductivity, and Binary Diffusion Coefficient of the (H2O + N2) System

Cross second virial coefficient and dilute gas transport properties of the (H2O + CO2) system from first-principles calculations

Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (N2 + C3H8), (C2H6 + C3H8), and (H2S + C3H8) from Ab Initio-Based Intermolecular Potentials

Ab initio potential energy surface for the nitrogen molecule pair and thermophysical properties of nitrogen gas

Nonadditive three-body potential and third to eighth virial coefficients of carbon dioxide

Cross Second Virial Coefficients and Dilute Gas Transport Properties of the Systems (CO2 + C2H6) and (H2S + C2H6) from Accurate Intermolecular Potential Energy Surfaces

Cross Second Virial Coefficient of the H2O–CO System from a New Ab Initio Pair Potential

Cross Second Virial Coefficients and Dilute Gas Transport Properties of the (CH4 + C3H8) and (CO2 + C3H8) Systems from Accurate Intermolecular Potential Energy Surfaces

Corrigendum to ‘‘Cross second virial coefficient and dilute gas transport properties of the (H2O + CO2) system from first-principles calculations’’ [Fluid Phase Equilib. 485 (2019) 251–263]

Correction to “First-Principles Calculation of the Cross Second Virial Coefficient and the Dilute Gas Shear Viscosity, Thermal Conductivity, and Binary Diffusion Coefficient of the (H2O + N2) System”

Cross second virial coefficients and dilute gas transport properties of the systems (CH4 + C2H6) and (N2 + C2H6) from accurate intermolecular potential energy surfaces

Ab initio intermolecular potential energy surface and thermophysical properties of nitrous oxide

Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts

Thermophysical Properties of Gaseous H2S–N2 Mixtures from First-Principles Calculations

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