Sigma enlarging bridge function for heteronuclear Lennard-Jones diatomic solute solvated in a Lennard-Jones monatomic solvent in terms of the parameter transferability

Integral equation theory for uncharged liquids: The Lennard‐Jones fluid and the bridge function

The Journal of Chemical Physics ◽

10.1063/1.470724 ◽

1995 ◽

Vol 103 (7) ◽

pp. 2625-2633 ◽

Cited By ~ 95

Author(s):

Der‐Ming Duh ◽

A. D. J. Haymet

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Bridge Function ◽

Lennard Jones

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The bridge function of a Lennard‐Jones fluid calculated from a second‐order Percus–Yevick equation

The Journal of Chemical Physics ◽

10.1063/1.471118 ◽

1996 ◽

Vol 104 (8) ◽

pp. 2971-2975 ◽

Cited By ~ 18

Author(s):

Douglas Henderson ◽

Stefan Sokol/owski

Keyword(s):

Second Order ◽

Bridge Function ◽

Lennard Jones

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Calculation of Bridge Function and Thermodynamic Properties of Lennard-Jones Fluid Using Integral Equation Theory

Lecture Notes in Electrical Engineering - Emerging Trends in Computing and Communication ◽

10.1007/978-81-322-1817-3_39 ◽

2014 ◽

pp. 395-403

Author(s):

Rupa Pal

Keyword(s):

Integral Equation ◽

Thermodynamic Properties ◽

Integral Equation Theory ◽

Bridge Function ◽

Lennard Jones

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Self-consistent determination of the bridge function for simple fluids with the Lennard-Jones potential

The Journal of Chemical Physics ◽

10.1063/1.3427645 ◽

1997 ◽

Vol 107 (19) ◽

pp. 8030-8035 ◽

Cited By ~ 3

Author(s):

J. M. Bomont ◽

N. Jakse ◽

J. L. Bretonnet

Keyword(s):

Lennard Jones Potential ◽

Simple Fluids ◽

Jones Potential ◽

Bridge Function ◽

Lennard Jones ◽

Self Consistent

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Integral equation theory for Lennard‐Jones fluids: The bridge function and applications to pure fluids and mixtures

The Journal of Chemical Physics ◽

10.1063/1.471391 ◽

1996 ◽

Vol 104 (17) ◽

pp. 6742-6754 ◽

Cited By ~ 105

Author(s):

Der‐Ming Duh ◽

Douglas Henderson

Keyword(s):

Integral Equation ◽

Integral Equation Theory ◽

Bridge Function ◽

Pure Fluids ◽

Lennard Jones

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Transferability of Sigma Enlarging Bridge Function for Lennard-Jones Diatomic Solute Using Monatomic Solvent Correlation Obtained from Molecular Dynamics Simulation

Chemistry Letters ◽

10.1246/cl.200521 ◽

2020 ◽

Vol 49 (11) ◽

pp. 1372-1375

Author(s):

Tatsuhiko Miyata ◽

Naoya Yabuki ◽

Jackie Leung

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Bridge Function ◽

Lennard Jones

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An assessment of the sigma enlarging bridge function for a Lennard-Jones solution using a solvent-solvent correlation function obtained from molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.111167 ◽

2019 ◽

Vol 290 ◽

pp. 111167 ◽

Cited By ~ 1

Author(s):

Tatsuhiko Miyata ◽

Yu Ogasawara ◽

Takahiro Fujii ◽

Daigo Yano ◽

Yuki Ebato

Keyword(s):

Molecular Dynamics ◽

Correlation Function ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Bridge Function ◽

Lennard Jones ◽

Solvent Solvent

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A self-consistent integral equation: Bridge function and thermodynamic properties for the Lennard-Jones fluid

The Journal of Chemical Physics ◽

10.1063/1.1583675 ◽

2003 ◽

Vol 119 (4) ◽

pp. 2188-2191 ◽

Cited By ~ 13

Author(s):

J. M. Bomont ◽

J. L. Bretonnet

Keyword(s):

Integral Equation ◽

Thermodynamic Properties ◽

Bridge Function ◽

Lennard Jones ◽

Self Consistent

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Bridge function and cavity correlation function for the Lennard‐Jones fluid from simulation

The Journal of Chemical Physics ◽

10.1063/1.463142 ◽

1992 ◽

Vol 97 (3) ◽

pp. 2046-2054 ◽

Cited By ~ 63

Author(s):

Mario Llano‐Restrepo ◽

Walter G. Chapman

Keyword(s):

Correlation Function ◽

Bridge Function ◽

Lennard Jones

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A study on the transferability of the sigma enlarging bridge function for an accurate evaluation of solvation free energy: The case of homonuclear Lennard-Jones diatomic solute solvated in a Lennard-Jones monatomic solvent

AIP Advances ◽

10.1063/1.5087935 ◽

2019 ◽

Vol 9 (2) ◽

pp. 025310 ◽

Cited By ~ 3

Author(s):

Tatsuhiko Miyata ◽

Naoya Yabuki

Keyword(s):

Free Energy ◽

Solvation Free Energy ◽

Accurate Evaluation ◽

Bridge Function ◽

Lennard Jones

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