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Microcanonical Monte Carlo of Lennard-Jones microclusters

The Journal of chemical physics, 2024-09, Vol.161 (11)

Lustig, Rolf

2024

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Equation of State for the Lennard-Jones Fluid

Journal of physical and chemical reference data, 2016-06, Vol.45 (2), p.1

2016

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Microcanonical thermodynamics of three and four atoms

The Journal of chemical physics, 2019-02, Vol.150 (7), p.074303-074303

Lustig, Rolf

2019

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Statistical analogues for fundamental equation of state derivatives

Molecular physics, 2012-12, Vol.110 (24), p.3041-3052

Lustig, Rolf

2012

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On the Lennard-Jones and Devonshire theory for solid state thermodynamics

Molecular physics, 2017-06, Vol.115 (9-12), p.1362-1377

Lustig, Rolf

2017

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Direct molecular NVT simulation of the isobaric heat capacity, speed of sound and Joule-Thomson coefficient

Molecular simulation, 2011-05, Vol.37 (6), p.457-465

Lustig, Rolf

2011

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Microcanonical Monte Carlo simulation of thermodynamic properties

The Journal of chemical physics, 1998-11, Vol.109 (20), p.8816-8828

Lustig, Rolf

1998

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Statistical thermodynamics in the classical molecular dynamics ensemble. I. Fundamentals

The Journal of chemical physics, 1994-02, Vol.100 (4), p.3048-3059

Lustig, Rolf

1994

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Statistical thermodynamics in the classical molecular dynamics ensemble. II. Application to computer simulation

The Journal of chemical physics, 1994-02, Vol.100 (4), p.3060-3067

Lustig, Rolf

1994

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Equation of State for the Lennard-Jones Truncated and Shifted Model Fluid

International journal of thermophysics, 2015, Vol.36 (1), p.25-43

2015

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Statistical thermodynamics in the classical molecular dynamics ensemble. III. Numerical results

The Journal of chemical physics, 1994-02, Vol.100 (4), p.3068-3078

Lustig, Rolf

1994

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Special Issue of Molecular Physics in Honour of Professor Johann Fischer

Molecular physics, 2017-06, Vol.115 (9-12), p.1015-1016

2017

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Thermodynamic correlation of molecular simulation data

Molecular physics, 2015-05, Vol.113 (9-10), p.910-931

2015

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Geometry of four hard fused spheres in an arbitrary spatial configuration

Molecular physics, 1986-10, Vol.59 (2), p.195-207

Lustig, Rolf

1986

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Description of polyatomic real substances by two-center Lennard-Jones model fluids

Fluid phase equilibria, 1986, Vol.25 (3), p.251-262

1986

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Influence of intermolecular potential parameters on orthobaric properties of fluids consisting of spherical and linear molecules

Molecular physics, 1984-06, Vol.52 (2), p.485-497

1984

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Thermodynamics of fluid benzene from molecular dynamics simulations

Journal of molecular liquids, 2002, Vol.98, p.243-261

2002

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Boyle temperatures, Joule-Thomson inversion temperatures, and critical points of highly symmetrical multi-center Lennard-Jones molecules

Journal of molecular liquids, 2002, Vol.98, p.263-284

2002

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Angle-average for the powers of the distance between two separated vectors

Molecular physics, 1988-09, Vol.65 (1), p.175-179

Lustig, Rolf

1988

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Thermodynamic properties of model molecules with hexagonal symmetry from statistical mechanical theory

The Journal of chemical physics, 1996-12, Vol.105 (21), p.9597-9614

1996

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A thermodynamic perturbation theory for non-linear multicentre Lennard-Jones molecules with an anisotropic reference system

Molecular physics, 1986-10, Vol.59 (2), p.173-194

Lustig, Rolf

1986

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Application of thermodynamic perturbation theory to multicentre Lennard-Jones molecules. Results for CF4, CCl4, neo-C5H12 and SF6 as tetrahedral and octahedral models

Fluid phase equilibria, 1987-12, Vol.32 (2), p.117-137

LUSTIG, R

1987

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Application of thermodynamic perturbation theory to multicentre Lennard—Jones molecules. Results for CF 4, CCl 4, neo-C 5H 12 and SF 6 as tetrahedral and octahedral models

Fluid phase equilibria, 1987, Vol.32 (2), p.117-137

Lustig, Rolf

1987

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Surface and volume of three, four, six and twelve hard fused spheres

Molecular physics, 1985-06, Vol.55 (2), p.305-317

Lustig, Rolf

1985

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Physikalische Chemie ohne Mathematik?: Einführung in die Physikalische Chemie. Ein Lehrbuch für alle Naturwissenschaftler. Von P. W. Atkins. VCH, Weinheim, 1993. 472 S., 294 Abb., 294 Tab., kart. DM 78,‐.ISBN 3‐527‐28027‐8

Nachrichten aus Chemie, Technik und Laboratorium, 1993, Vol.41 (12), p.1407-1408

Lustig, Rolf

1993

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Microcanonical Monte Carlo of Lennard-Jones microclusters

Equation of State for the Lennard-Jones Fluid

Microcanonical thermodynamics of three and four atoms

Statistical analogues for fundamental equation of state derivatives

On the Lennard-Jones and Devonshire theory for solid state thermodynamics

Direct molecular NVT simulation of the isobaric heat capacity, speed of sound and Joule-Thomson coefficient

Microcanonical Monte Carlo simulation of thermodynamic properties

Statistical thermodynamics in the classical molecular dynamics ensemble. I. Fundamentals

Statistical thermodynamics in the classical molecular dynamics ensemble. II. Application to computer simulation

Equation of State for the Lennard-Jones Truncated and Shifted Model Fluid

Statistical thermodynamics in the classical molecular dynamics ensemble. III. Numerical results

Special Issue of Molecular Physics in Honour of Professor Johann Fischer

Thermodynamic correlation of molecular simulation data

Geometry of four hard fused spheres in an arbitrary spatial configuration

Description of polyatomic real substances by two-center Lennard-Jones model fluids

Influence of intermolecular potential parameters on orthobaric properties of fluids consisting of spherical and linear molecules

Thermodynamics of fluid benzene from molecular dynamics simulations

Boyle temperatures, Joule-Thomson inversion temperatures, and critical points of highly symmetrical multi-center Lennard-Jones molecules

Angle-average for the powers of the distance between two separated vectors

Thermodynamic properties of model molecules with hexagonal symmetry from statistical mechanical theory

A thermodynamic perturbation theory for non-linear multicentre Lennard-Jones molecules with an anisotropic reference system

Application of thermodynamic perturbation theory to multicentre Lennard-Jones molecules. Results for CF4, CCl4, neo-C5H12 and SF6 as tetrahedral and octahedral models

Application of thermodynamic perturbation theory to multicentre Lennard—Jones molecules. Results for CF 4, CCl 4, neo-C 5H 12 and SF 6 as tetrahedral and octahedral models

Surface and volume of three, four, six and twelve hard fused spheres

Physikalische Chemie ohne Mathematik?: Einführung in die Physikalische Chemie. Ein Lehrbuch für alle Naturwissenschaftler. Von P. W. Atkins. VCH, Weinheim, 1993. 472 S., 294 Abb., 294 Tab., kart. DM 78,‐.ISBN 3‐527‐28027‐8

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