Melt Structure and Dynamics of Unentangled Polyethylene Rings: Rouse Theory, Atomistic Molecular Dynamics Simulation, and Comparison with the Linear Analogues

Georgia Tsolou; Nikos Stratikis; Chunggi Baig; Pavlos S. Stephanou; Vlasis G. Mavrantzas

doi:10.1021/ma1017555

Melt Structure and Dynamics of Unentangled Polyethylene Rings: Rouse Theory, Atomistic Molecular Dynamics Simulation, and Comparison with the Linear Analogues

Macromolecules ◽

10.1021/ma1017555 ◽

2010 ◽

Vol 43 (24) ◽

pp. 10692-10713 ◽

Cited By ~ 80

Author(s):

Georgia Tsolou ◽

Nikos Stratikis ◽

Chunggi Baig ◽

Pavlos S. Stephanou ◽

Vlasis G. Mavrantzas

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Melt Structure ◽

Structure And Dynamics ◽

Rouse Theory

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Molecular Dynamics Simulation of Cis-Trans N-Methylformamide (NMF) Liquid Mixture. Structure and Dynamics

International Conference of Computational Methods in Sciences and Engineering 2004 (ICCMSE 2004) ◽

10.1201/9780429081385-117 ◽

2019 ◽

pp. 479-482

Author(s):

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Liquid Mixture ◽

Dynamics Simulation ◽

Structure And Dynamics

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Local intermolecular structure and dynamics in binary supercritical solutions. A molecular dynamics simulation study of methane in carbon dioxide

Journal of Molecular Liquids ◽

10.1016/j.molliq.2005.11.023 ◽

2006 ◽

Vol 125 (2-3) ◽

pp. 181-186 ◽

Cited By ~ 15

Author(s):

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Supercritical Solutions

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Structure and Dynamics of Thymol - Fatty Acids Based Deep Eutectic Solvent Investigated by Molecular Dynamics Simulation

Fluid Phase Equilibria ◽

10.1016/j.fluid.2021.113241 ◽

2021 ◽

pp. 113241

Author(s):

Samaneh Barani Pour ◽

Jaber Jahanbin Sardroodi ◽

Alireza Rastkar Ebrahimzadeh

Keyword(s):

Molecular Dynamics ◽

Fatty Acids ◽

Molecular Dynamics Simulation ◽

Deep Eutectic Solvent ◽

Dynamics Simulation ◽

Structure And Dynamics

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Structure and dynamics behavior during the glass transition of the polyisoprene in the presence of pressure: A molecular dynamics simulation

Polymer ◽

10.1016/j.polymer.2021.124433 ◽

2022 ◽

Vol 238 ◽

pp. 124433

Author(s):

Wei Sun ◽

Haoyu Wu ◽

Yanlong Luo ◽

Bin Li ◽

Lixin Mao ◽

...

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Structure And Dynamics

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Molecular Dynamics Simulation Studies of the Temperature-Dependent Structure and Dynamics of Isopropanol–Water Liquid Mixtures at Low Alcohol Content

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.9b05631 ◽

2019 ◽

Vol 123 (35) ◽

pp. 7599-7610 ◽

Cited By ~ 4

Author(s):

Szilvia Pothoczki ◽

László Pusztai ◽

Imre Bakó

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Liquid Mixtures ◽

Dynamics Simulation ◽

Simulation Studies ◽

Temperature Dependent ◽

Alcohol Content ◽

Structure And Dynamics ◽

Low Alcohol

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Solvation of poly(vinyl alcohol) in water, ethanol and an equimolar water-ethanol mixture: structure and dynamics studied by molecular dynamics simulation

Polymer ◽

10.1016/s0032-3861(96)00773-2 ◽

1997 ◽

Vol 38 (9) ◽

pp. 2259-2268 ◽

Cited By ~ 56

Author(s):

Florian Müller-Plathe ◽

Wilfred F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Ethanol Mixture ◽

Structure And Dynamics

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Characterization of structure and dynamics of the solvated indium(III) ion by an extended QM/MM molecular dynamics simulation

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.10.016 ◽

2014 ◽

Vol 1050 ◽

pp. 74-82 ◽

Cited By ~ 2

Author(s):

Viwat Vchirawongkwin ◽

Anan Tongraar ◽

Chinapong Kritayakornupong

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Structure And Dynamics

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Molecular Dynamics Simulation Studies of Zeolite-A. IV. Structure and Dynamics of NH4+ions in a Rigid Dehydrated Zeolite-A

Molecular Simulation ◽

10.1080/08927029608024100 ◽

1996 ◽

Vol 17 (2) ◽

pp. 113-130

Author(s):

Sang Gu Choi ◽

Song Hi Lee

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Studies ◽

Zeolite A ◽

Structure And Dynamics

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Water hydrogen-bonding structure and dynamics near lipid multibilayer surface: Molecular dynamics simulation study with direct experimental comparison

The Journal of Chemical Physics ◽

10.1063/1.5120456 ◽

2019 ◽

Vol 151 (11) ◽

pp. 114705 ◽

Cited By ~ 6

Author(s):

Euihyun Lee ◽

Achintya Kundu ◽

Jonggu Jeon ◽

Minhaeng Cho

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Experimental Comparison ◽

Bonding Structure ◽

Structure And Dynamics ◽

Water Hydrogen

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Molecular dynamics simulation of the structure and dynamics of 5-HT3 serotonin receptor

10.1063/1.4964976 ◽

2016 ◽

Author(s):

M. Yu. Antonov ◽

A. V. Popinako ◽

G. A. Prokopiev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Serotonin Receptor ◽

Dynamics Simulation ◽

Structure And Dynamics

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