Atomistic molecular dynamics simulation of diffusion in binary liquid n-alkane mixtures

The Journal of Chemical Physics ◽

10.1063/1.1466472 ◽

2002 ◽

Vol 116 (17) ◽

pp. 7656-7665 ◽

Author(s):

V. A. Harmandaris ◽

D. Angelopoulou ◽

V. G. Mavrantzas ◽

D. N. Theodorou

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

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Molecular Dynamics Simulation of the Soret Effect on Two Binary Liquid Solutions with Equimolar n-Alkane Mixtures

ACS Omega ◽

10.1021/acsomega.1c04926 ◽

2021 ◽

Author(s):

Jun Zhong ◽

Renbao Zhao ◽

Wenze Ouyang ◽

Shenghua Xu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Soret Effect ◽

Dynamics Simulation ◽

Binary Liquid ◽

Liquid Solutions

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Mass dependence of the self diffusion coefficients in two equimolar binary liquid Lennard-Jones systems determined through molecular dynamics simulation

Molecular Physics ◽

10.1080/00268978100102711 ◽

1981 ◽

Vol 44 (3) ◽

pp. 665-675 ◽

Author(s):

Richard J. Bearman ◽

Donn L. Jolly

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Diffusion Coefficients ◽

The Self ◽

Dynamics Simulation ◽

Mass Dependence ◽

Self Diffusion ◽

Binary Liquid ◽

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Thermal conductivity calculations of binary liquid organic mixtures by molecular dynamics simulation and its interpretation of microscopic heat transfer mechanism

Molecular Simulation ◽

10.1080/08927022.2021.1945594 ◽

2021 ◽

pp. 1-9

Author(s):

Wanqiang Liu ◽

Fan Yang ◽

Yuanda Zhang ◽

Hu Zhou

Keyword(s):

Heat Transfer ◽

Thermal Conductivity ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Transfer Mechanism ◽

Dynamics Simulation ◽

Heat Transfer Mechanism ◽

Organic Mixtures ◽

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Molecular dynamics simulation for the test of calibrated OPLS-AA force field for binary liquid mixture of tri-iso-amyl phosphate and n-dodecane

The Journal of Chemical Physics ◽

10.1063/1.5009900 ◽

2018 ◽

Vol 148 (7) ◽

pp. 074502 ◽

Author(s):

Arya Das ◽

Sk. Musharaf Ali

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Liquid Mixture ◽

Binary Liquid Mixture ◽

Dynamics Simulation ◽

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Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

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A molecular dynamics simulation for an ODIC phase. - III. Analysis of the correlation functions

Journal de Physique ◽

10.1051/jphys:01987004805082100 ◽

1987 ◽

Vol 48 (5) ◽

pp. 821-835 ◽

Author(s):

Ph. Buchet ◽

R.M. Pick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Correlation Functions ◽

Dynamics Simulation ◽

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ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

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