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ReaxFF molecular dynamics simulations of electrolyte–water systems at supercritical temperature
The Journal of Chemical Physics
◽
10.1063/5.0006676
◽
2020
◽
Vol 152
(20)
◽
pp. 204502
Author(s):
Nabankur Dasgupta
◽
Yun Kyung Shin
◽
Mark V. Fedkin
◽
Adri van Duin
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulations
◽
Water Systems
◽
Dynamics Simulations
◽
Supercritical Temperature
Download Full-text
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◽
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Vol 153
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Author(s):
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◽
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◽
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◽
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◽
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◽
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◽
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◽
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Molecular dynamics simulations of PVP kinetic inhibitor in liquid water and hydrate/liquid water systems
Molecular Physics
◽
10.1080/002689797171977
◽
1997
◽
Vol 90
(6)
◽
pp. 979-992
◽
Cited By ~ 28
Author(s):
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◽
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◽
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◽
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◽
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◽
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◽
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Molecular dynamics simulations of PVP kinetic inhibitor in liquid water and hydrate/liquid water systems
Molecular Physics
◽
10.1080/00268979709482682
◽
1997
◽
Vol 90
(6)
◽
pp. 979-991
◽
Cited By ~ 4
Author(s):
BJØRN KVAMME
◽
GEIR HUSEBY
◽
OLE FØRRISDAHL
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulations
◽
Liquid Water
◽
Water Systems
◽
Dynamics Simulations
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ReaxFF molecular dynamics simulations on the structure and dynamics of electrolyte water systems at ambient temperature
Computational Materials Science
◽
10.1016/j.commatsci.2019.109349
◽
2020
◽
Vol 172
◽
pp. 109349
◽
Cited By ~ 3
Author(s):
Nabankur Dasgupta
◽
Yun Kyung Shin
◽
Mark V. Fedkin
◽
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Keyword(s):
Molecular Dynamics
◽
Ambient Temperature
◽
Molecular Dynamics Simulations
◽
Water Systems
◽
Structure And Dynamics
◽
Dynamics Simulations
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Molecular dynamics simulations of the interactions and dispersion of carbon nanotubes in polyethylene oxide/water systems
Polymer
◽
10.1016/j.polymer.2010.11.056
◽
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◽
Vol 52
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◽
pp. 288-296
◽
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Author(s):
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◽
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◽
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◽
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◽
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◽
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◽
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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations
Molecular Physics
◽
10.1080/002689700162045
◽
2000
◽
Vol 98
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◽
pp. 701-707
Author(s):
Alessandro Sergi, Mauro Ferrario, Francesco Bu
Keyword(s):
Molecular Dynamics
◽
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◽
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
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◽
pp. 993-1003
◽
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Author(s):
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◽
DAVID KOFKE
◽
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Keyword(s):
Molecular Dynamics
◽
Kinetic Theory
◽
Molecular Dynamics Simulations
◽
Liquid Crystalline
◽
Tracer Diffusion
◽
Crystalline Phases
◽
Liquid Crystalline Phases
◽
Dynamics Simulations
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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials
Molecular Physics
◽
10.1080/002689798167430
◽
1998
◽
Vol 95
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◽
pp. 121-121
Author(s):
CARL MCBRIDE MARK R. WILSON JUDITH A. K.
Keyword(s):
Molecular Dynamics
◽
Liquid Crystal
◽
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◽
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◽
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◽
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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity
The Journal of Physical Chemistry A
◽
10.1021/jp971476g
◽
1997
◽
Vol 101
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◽
pp. 5026-5026
Author(s):
Maija Lahtela
◽
Tapani A. Pakkanen
◽
Richard L. Rowley
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◽
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◽
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◽
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◽
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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments
Journal de Chimie Physique
◽
10.1051/jcp/1997941482
◽
1997
◽
Vol 94
◽
pp. 1482-1502
◽
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Author(s):
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◽
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◽
ML Klein
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◽
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◽
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◽
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