Molecular Dynamics Simulation Study of Ethylene Glycol, Ethylenediamine, and 2-Aminoethanol. 1. The Local Structure in Pure Liquids

A. V. Gubskaya; P. G. Kusalik

doi:10.1021/jp0489222

Molecular Dynamics Simulation Study of Ethylene Glycol, Ethylenediamine, and 2-Aminoethanol. 1. The Local Structure in Pure Liquids

The Journal of Physical Chemistry A ◽

10.1021/jp0489222 ◽

2004 ◽

Vol 108 (35) ◽

pp. 7151-7164 ◽

Cited By ~ 71

Author(s):

A. V. Gubskaya ◽

P. G. Kusalik

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ethylene Glycol ◽

Simulation Study ◽

Local Structure ◽

Dynamics Simulation

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Structure of liquid ethylene glycol: A molecular dynamics simulation study with different force fields

The Journal of Chemical Physics ◽

10.1063/1.1340605 ◽

2001 ◽

Vol 114 (7) ◽

pp. 3187-3199 ◽

Cited By ~ 70

Author(s):

L. Saiz ◽

J. A. Padró ◽

E. Guàrdia

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ethylene Glycol ◽

Simulation Study ◽

Force Fields ◽

Dynamics Simulation ◽

Structure Of Liquid

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Molecular Dynamics Simulation Study on CO2 Physical Absorption Mechanisms for Ethylene-Glycol-Based Solvents Using Free Energy Calculations

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.6b01074 ◽

2016 ◽

Vol 55 (29) ◽

pp. 8200-8206 ◽

Cited By ~ 4

Author(s):

Ryo Nagumo ◽

Yukihiro Muraki ◽

Shuichi Iwata ◽

Hideki Mori ◽

Hiromitsu Takaba ◽

...

Keyword(s):

Molecular Dynamics ◽

Free Energy ◽

Molecular Dynamics Simulation ◽

Ethylene Glycol ◽

Simulation Study ◽

Free Energy Calculations ◽

Dynamics Simulation ◽

Energy Calculations ◽

Physical Absorption

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Evolution of self-diffusion and local structure in some amines over a wide temperature range at high pressures: a molecular dynamics simulation study

Physical Chemistry Chemical Physics ◽

10.1039/c0cp00337a ◽

2010 ◽

Vol 12 (45) ◽

pp. 15007 ◽

Cited By ~ 16

Author(s):

Huajie Feng ◽

Xin Liu ◽

Wei Gao ◽

Xiaojuan Chen ◽

Jing Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Wide Temperature Range ◽

Local Structure ◽

High Pressures ◽

Dynamics Simulation ◽

Temperature Range ◽

Self Diffusion

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Local structure and mobility of ions in polymer electrolytes: A molecular dynamics simulation study of the amorphous PEOxNaI system

The Journal of Chemical Physics ◽

10.1063/1.471033 ◽

1996 ◽

Vol 104 (10) ◽

pp. 3797-3809 ◽

Cited By ~ 56

Author(s):

Sylvie Neyertz ◽

David Brown

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Polymer Electrolytes ◽

Local Structure ◽

Dynamics Simulation ◽

Mobility Of Ions

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Molecular Dynamics Simulation Study of Ethylene Glycol, Ethylenediamine, and 2-Aminoethanol. 2. Structure in Aqueous Solutions

The Journal of Physical Chemistry A ◽

10.1021/jp048921+ ◽

2004 ◽

Vol 108 (35) ◽

pp. 7165-7178 ◽

Cited By ~ 47

Author(s):

A. V. Gubskaya ◽

P. G. Kusalik

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ethylene Glycol ◽

Aqueous Solutions ◽

Simulation Study ◽

Dynamics Simulation

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Self-Assembly of Allomelanin Dimers and the Impact of Poly(ethylene glycol) on the Assembly: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c00226 ◽

2020 ◽

Vol 124 (13) ◽

pp. 2702-2714 ◽

Cited By ~ 1

Author(s):

Utkarsh Kapoor ◽

Arthi Jayaraman

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ethylene Glycol ◽

Simulation Study ◽

Self Assembly ◽

Dynamics Simulation ◽

Poly Ethylene Glycol ◽

Poly Ethylene ◽

The Impact

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Molecular dynamics simulation study of the response of polyurea to a shock

10.26226/morressier.5f5f8e69aa777f8ba5bd5f91 ◽

2020 ◽

Author(s):

Manva Manva

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Salient Structural Features of Human Lemur Tyrosine Kinase 3 (LMTK3) Domain from Molecular Dynamics Simulation Study

Current Biotechnology ◽

10.2174/2213529404666180125161856 ◽

2018 ◽

Vol 7 (4) ◽

pp. 309-316

Author(s):

Himakshi Sarma ◽

Venkata Satish Kumar Mattaparthi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Dynamics Simulation

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Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

Chemical Physics Letters ◽

10.1016/j.cplett.2005.05.035 ◽

2005 ◽

Vol 410 (1-3) ◽

pp. 54-58 ◽

Cited By ~ 12

Author(s):

Aiko Hayashi ◽

Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: A molecular dynamics simulation study

Physical Review E ◽

10.1103/physreve.70.011804 ◽

2004 ◽

Vol 70 (1) ◽

Cited By ~ 11

Author(s):

Dmitry Bedrov ◽

Grant D. Smith ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

Dynamics Simulation

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