Local structure and dynamics of benzene confined in the IRMOF-1 nanocavity as studied by molecular dynamics simulation

Local Structure ◽

Dynamics Simulation ◽

Molecular dynamics simulation of relationship between local structure and dynamics during glass transition of Mg7Zn3 alloy

Transactions of Nonferrous Metals Society of China ◽

10.1016/s1003-6326(14)63166-6 ◽

2014 ◽

Vol 24 (4) ◽

pp. 1086-1093 ◽

Cited By ~ 5

Author(s):

Zhao-yang HOU ◽

Rang-su LIU ◽

Chun-long XU ◽

Xue-min SHUAI ◽

Yu SHU

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Local Structure ◽

Dynamics Simulation ◽

Molecular dynamics simulation of thermodynamic properties and local structure of Na2CO3-K2CO3 eutectic salt during phase transition

Journal of Energy Storage ◽

10.1016/j.est.2021.103221 ◽

2021 ◽

Vol 43 ◽

pp. 103221

Author(s):

Yunkun Lu ◽

Gaoqun Zhang ◽

Junjie Hao ◽

Jingcen Zhang ◽

Liang Chang ◽

...

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Thermodynamic Properties ◽

Local Structure ◽

Dynamics Simulation ◽

Eutectic Salt

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

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

10.1201/9780429081385-117 ◽

2019 ◽

pp. 479-482

Author(s):

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Molecular Dynamics ◽

Liquid Mixture ◽

Dynamics Simulation ◽

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 ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Supercritical Solutions

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 ◽

Deep Eutectic Solvent ◽

Dynamics Simulation ◽

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 ◽

Dynamics Simulation ◽

Molecular Basics of Liquids and Liquid-Based Materials - Physical Chemistry in Action ◽

Local Structure in Mixtures of Ionic Liquid with Molecular Solvent: Vibration Spectroscopy, NMR and Molecular Dynamics Simulation

10.1007/978-981-16-5395-7_10 ◽

2021 ◽

pp. 289-334

Author(s):

Bogdan A. Marekha ◽

Volodymyr Koverga ◽

Nishith Maity ◽

Akos Juhasz ◽

François A. Miannay ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Local Structure ◽

Dynamics Simulation ◽

Vibration Spectroscopy

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 ◽

Liquid Mixtures ◽

Dynamics Simulation ◽

Simulation Studies ◽

Temperature Dependent ◽

Alcohol Content ◽

Structure And Dynamics ◽

Low Alcohol

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 ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Ethanol Mixture ◽

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 ◽

Dynamics Simulation ◽