Structural and Dynamical Properties of Tetraalkylammonium Bromide Aqueous Solutions: A Molecular Dynamics Simulation Study Using a Polarizable Force Field

Molecular dynamics simulations were applied to an isolated cholesterol immersed in four different solvents of varying polarity, such as water, methanol, dimethyl sulfoxide and benzene, to gain insights into the structural and dynamical properties.

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Molecular Dynamics Simulation Study of the Early Stages of Nucleation of Iron Oxyhydroxide Nanoparticles in Aqueous Solutions

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b03801 ◽

2015 ◽

Vol 119 (33) ◽

pp. 10630-10642 ◽

Cited By ~ 24

Author(s):

Hengzhong Zhang ◽

Glenn A. Waychunas ◽

Jillian F. Banfield

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Aqueous Solutions ◽

Simulation Study ◽

Dynamics Simulation ◽

Iron Oxyhydroxide ◽

Early Stages

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The structural and dynamical properties of ZnCl2 melt—a molecular dynamics simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2004.02.045 ◽

2004 ◽

Vol 115 (2-3) ◽

pp. 81-88 ◽

Cited By ~ 4

Author(s):

Shiping Huang ◽

F. Yoshida ◽

Wenchuan Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Dynamical Properties

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Dispersing carbon nanotubes in aqueous solutions by a silicon surfactant: Experimental and molecular dynamics simulation study

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2009.09.011 ◽

2009 ◽

Vol 350 (1-3) ◽

pp. 101-108 ◽

Cited By ~ 26

Author(s):

Jinyu Pang ◽

Guiying Xu ◽

Shiling Yuan ◽

Yebang Tan ◽

Fang He

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Aqueous Solutions ◽

Simulation Study ◽

Dynamics Simulation

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Interaction between single-walled carbon nanotubes and polymers: A molecular dynamics simulation study with reactive force field

Computational Materials Science ◽

10.1016/j.commatsci.2012.01.023 ◽

2012 ◽

Vol 58 ◽

pp. 7-11 ◽

Cited By ~ 56

Author(s):

Esmaeil Zaminpayma ◽

Kavoos Mirabbaszadeh

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Simulation Study ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Reactive Force ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Understanding the pH-Dependent Behavior of Graphene Oxide Aqueous Solutions: A Comparative Experimental and Molecular Dynamics Simulation Study

Langmuir ◽

10.1021/la203607w ◽

2011 ◽

Vol 28 (1) ◽

pp. 235-241 ◽

Cited By ~ 355

Author(s):

Chih-Jen Shih ◽

Shangchao Lin ◽

Richa Sharma ◽

Michael S. Strano ◽

Daniel Blankschtein

Keyword(s):

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Aqueous Solutions ◽

Simulation Study ◽

Dynamics Simulation ◽

Dependent Behavior ◽

Ph Dependent

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Molecular dynamics simulation study of distribution and dynamics of aqueous solutions of uranyl ions: the effect of varying temperature and concentration

Physical Chemistry Chemical Physics ◽

10.1039/c5cp03769g ◽

2015 ◽

Vol 17 (41) ◽

pp. 27840-27850 ◽

Cited By ~ 6

Author(s):

Manish Chopra ◽

Niharendu Choudhury

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Aqueous Solutions ◽

Molecular Dynamics Simulations ◽

Simulation Study ◽

Dynamics Simulation ◽

Uranyl Ions ◽

Orientational Distribution ◽

Dynamics Simulations

Orientational distribution and dynamics of aqueous solutions of uranyl ions are studied at different concentrations and temperatures using molecular dynamics simulations.

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