A molecular dynamics and Monte Carlo study of solvent effects on the conformational equilibrium of n‐butane in CCl4a),b)

D. W. Rebertus; Bruce J. Berne; David Chandler

doi:10.1063/1.437871

A molecular dynamics and Monte Carlo study of solvent effects on the conformational equilibrium of n‐butane in CCl4a),b)

The Journal of Chemical Physics ◽

10.1063/1.437871 ◽

1979 ◽

Vol 70 (7) ◽

pp. 3395-3400 ◽

Cited By ~ 142

Author(s):

D. W. Rebertus ◽

Bruce J. Berne ◽

David Chandler

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Solvent Effects ◽

Conformational Equilibrium ◽

Monte Carlo Study

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ChemInform Abstract: A MOLECULAR DYNAMICS AND MONTE CARLO STUDY OF SOLVENT EFFECTS ON THE CONFORMATIONAL EQUILIBRIUM OF N-BUTANE IN CARBON TETRACHLORIDE

Chemischer Informationsdienst ◽

10.1002/chin.197936094 ◽

1979 ◽

Vol 10 (36) ◽

Author(s):

D. W. REBERTUS ◽

B. J. BERNE ◽

D. CHANDLER

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Carbon Tetrachloride ◽

Solvent Effects ◽

Conformational Equilibrium ◽

Monte Carlo Study

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Controlling the Nucleation and Growth Orientation of Nanocrystalline Carbon Films during Plasma-Assisted Deposition: A Reactive Molecular Dynamics/Monte Carlo Study

Journal of the American Chemical Society ◽

10.1021/jacs.9b12845 ◽

2020 ◽

Vol 142 (5) ◽

pp. 2617-2627

Author(s):

Di Zhang ◽

Linfa Peng ◽

Xiaobo Li ◽

Peiyun Yi ◽

Xinmin Lai

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Monte Carlo Study ◽

Nucleation And Growth ◽

Carbon Films ◽

Growth Orientation ◽

Reactive Molecular Dynamics

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Changing Chirality during Single-Walled Carbon Nanotube Growth: A Reactive Molecular Dynamics/Monte Carlo Study

Journal of the American Chemical Society ◽

10.1021/ja204023c ◽

2011 ◽

Vol 133 (43) ◽

pp. 17225-17231 ◽

Cited By ~ 108

Author(s):

Erik C. Neyts ◽

Adri C. T. van Duin ◽

Annemie Bogaerts

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Carbon Nanotube ◽

Monte Carlo Study ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Reactive Molecular Dynamics ◽

Carbon Nanotube Growth ◽

Nanotube Growth

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Charge carrier interactions in ionic conductors: A classical molecular-dynamics and Monte Carlo study on AgI

The Journal of Chemical Physics ◽

10.1063/1.481205 ◽

2000 ◽

Vol 112 (14) ◽

pp. 6416-6423 ◽

Cited By ~ 19

Author(s):

F. Zimmer ◽

P. Ballone ◽

J. Maier ◽

M. Parrinello

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Charge Carrier ◽

Monte Carlo Study ◽

Ionic Conductors ◽

Classical Molecular Dynamics

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Erratum: “Solvent effect on conformational equilibrium: A Monte Carlo study of 1,2-dichloroethane in carbon tetrachloride” [J. Chem. Phys. 104, 4243 (1996)]

The Journal of Chemical Physics ◽

10.1063/1.478443 ◽

1999 ◽

Vol 110 (11) ◽

pp. 5473-5473

Author(s):

Eudald Vilaseca

Keyword(s):

Monte Carlo ◽

Carbon Tetrachloride ◽

Solvent Effect ◽

Conformational Equilibrium ◽

Monte Carlo Study ◽

Chem Phys

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Comparative molecular dynamics and Monte Carlo study of statistical properties for coarse-grained heteropolymers

Journal of Computational Chemistry ◽

10.1002/jcc.21003 ◽

2008 ◽

Vol 29 (15) ◽

pp. 2603-2612 ◽

Cited By ~ 8

Author(s):

Jakob Schluttig ◽

Michael Bachmann ◽

Wolfhard Janke

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Monte Carlo Study ◽

Statistical Properties ◽

Coarse Grained

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Solvent effect on conformational equilibrium: a Monte Carlo study of 1,3-dichloropropane in carbon tetrachloride

Chemical Physics ◽

10.1016/s0301-0104(00)00051-3 ◽

2000 ◽

Vol 255 (2-3) ◽

pp. 123-136 ◽

Cited By ~ 6

Author(s):

Sergio Madurga ◽

Juan Carlos Paniagua ◽

Eudald Vilaseca

Keyword(s):

Monte Carlo ◽

Carbon Tetrachloride ◽

Solvent Effect ◽

Conformational Equilibrium ◽

Monte Carlo Study

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A point-to-point Monte Carlo study of the conformational equilibrium of 1,2-dichloroethane in carbon tetrachloride

Molecular Physics ◽

10.1080/002689799163505 ◽

1999 ◽

Vol 97 (5) ◽

pp. 667-676

Author(s):

EUDALD VILASECA

Keyword(s):

Monte Carlo ◽

Carbon Tetrachloride ◽

Conformational Equilibrium ◽

Monte Carlo Study ◽

Point To Point

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Solvent effect on conformational equilibrium: A Monte Carlo study of 1,2‐dichloroethane in carbon tetrachloride

The Journal of Chemical Physics ◽

10.1063/1.471235 ◽

1996 ◽

Vol 104 (11) ◽

pp. 4243-4257 ◽

Cited By ~ 8

Author(s):

Eudald Vilaseca

Keyword(s):

Monte Carlo ◽

Carbon Tetrachloride ◽

Solvent Effect ◽

Conformational Equilibrium ◽

Monte Carlo Study

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Coupled molecular-dynamics Monte Carlo study of the transport properties of lateral surface superlattices

Physical Review B ◽

10.1103/physrevb.47.6416 ◽

1993 ◽

Vol 47 (11) ◽

pp. 6416-6426 ◽

Cited By ~ 7

Author(s):

Toshishige Yamada ◽

D. K. Ferry

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Transport Properties ◽

Lateral Surface ◽

Monte Carlo Study

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