Pressure–enthalpy driven molecular dynamics for thermodynamic property calculation

Fluid Phase Equilibria ◽

10.1016/s0378-3812(02)00014-6 ◽

2002 ◽

Vol 200 (1) ◽

pp. 75-92 ◽

Author(s):

Loukas I Kioupis ◽

Edward J Maginn

Keyword(s):

Molecular Dynamics ◽

Thermodynamic Property

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Force field comparison and thermodynamic property calculation of supercritical CO2 and CH4 using molecular dynamics simulations

Fluid Phase Equilibria ◽

10.1016/j.fluid.2014.02.001 ◽

2014 ◽

Vol 368 ◽

pp. 80-90 ◽

Author(s):

Cassiano G. Aimoli ◽

Edward J. Maginn ◽

Charlles R.A. Abreu

Keyword(s):

Molecular Dynamics ◽

Thermodynamic Property ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Supercritical Co2 ◽

Dynamics Simulations

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Pressure-enthalpy driven molecular dynamics for thermodynamic property calculation II: applications

Fluid Phase Equilibria ◽

10.1016/s0378-3812(02)00015-8 ◽

2002 ◽

Vol 200 (1) ◽

pp. 93-110 ◽

Author(s):

Loukas I. Kioupis ◽

Gaurav Arya ◽

Edward J. Maginn

Keyword(s):

Molecular Dynamics ◽

Thermodynamic Property

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Thermodynamic Property and Solid-State Molecular Dynamics of Cs2MnBr4·2H2O Crystal

Applied Magnetic Resonance ◽

10.1007/s00723-020-01305-y ◽

2021 ◽

Author(s):

Ae Ran Lim

Keyword(s):

Molecular Dynamics ◽

Solid State ◽

Thermodynamic Property

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Nonequilibrium Molecular Dynamics

10.1017/9781139017848 ◽

2017 ◽

Author(s):

Billy D. Todd ◽

Peter J. Daivis

Keyword(s):

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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A molecular dynamics study of depolarized interaction induced light scattering in room temperature argon

Molecular Physics ◽

10.1080/00268979709482081 ◽

1997 ◽

Vol 92 (1) ◽

pp. 127-134 ◽

Author(s):

VICTOR TEBOUL

Keyword(s):

Molecular Dynamics ◽

Light Scattering ◽

Room Temperature

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Molecular dynamics of cyclohexane guest molecules in the cyclohexane/thiourea inclusion compound: an incoherent quasielastic neutron scattering investigation

Molecular Physics ◽

10.1080/00268979809482241 ◽

1998 ◽

Vol 93 (4) ◽

pp. 545-554 ◽

Author(s):

MATTHEW JONES ◽

FRANCOIS GUILLAUME ◽

KENNETH HARRIS ◽

ABIL ALIEV ◽

PASCALE GIRARD ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Inclusion Compound ◽

Guest Molecules ◽

Quasielastic Neutron ◽

Quasielastic Neutron Scattering

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Conformational analysis of liquid dimethyl carbonate by molecular dynamics calculations

Molecular Physics ◽

10.1080/00268979809482199 ◽

1998 ◽

Vol 93 (1) ◽

pp. 153-158 ◽

Author(s):

OKIMASA OKADA

Keyword(s):

Molecular Dynamics ◽

Conformational Analysis ◽

Dimethyl Carbonate ◽

Molecular Dynamics Calculations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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