Molecular dynamics simulation of a dilute aqueous solution of benzene

Per Linse

doi:10.1021/ja00161a014

Molecular dynamics simulation of a dilute aqueous solution of benzene

Journal of the American Chemical Society ◽

10.1021/ja00161a014 ◽

1990 ◽

Vol 112 (5) ◽

pp. 1744-1750 ◽

Cited By ~ 47

Author(s):

Per Linse

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Dilute Aqueous Solution

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Conformational and intermolecular structure of stereoregular isomers of poly(acrylic acid) (PAA) and Na+-poly(acrylate) polyelectrolyte (Na+-PAA) in dilute aqueous solution: a molecular dynamics simulation study

Molecular Simulation ◽

10.1080/08927022.2020.1846036 ◽

2020 ◽

Vol 46 (18) ◽

pp. 1483-1499

Author(s):

Yogendra Kumar ◽

Abhishek K. Gupta ◽

Upendra Natarajan

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Acrylic Acid ◽

Simulation Study ◽

Dynamics Simulation ◽

Dilute Aqueous Solution ◽

Poly Acrylic Acid

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Poly(vinyl alcohol) Oligomer in Dilute Aqueous Solution: A Comparative Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp305296p ◽

2012 ◽

Vol 116 (33) ◽

pp. 10008-10019 ◽

Cited By ~ 16

Author(s):

Giulio Tesei ◽

Gaio Paradossi ◽

Ester Chiessi

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Dilute Aqueous Solution

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Structural and dynamical properties of the V3+ion in dilute aqueous solution: Anab initioQM/MM molecular dynamics simulation

Journal of Computational Chemistry ◽

10.1002/jcc.21278 ◽

2009 ◽

Vol 30 (16) ◽

pp. 2777-2783 ◽

Cited By ~ 10

Author(s):

Chinapong Kritayakornupong

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Dilute Aqueous Solution ◽

Dynamical Properties

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A Molecular Dynamics Simulation Study of the Influence of Hydrogen-Bonding and Polar Interactions on Hydration and Conformations of a Poly(ethylene oxide) Oligomer in Dilute Aqueous Solution

Macromolecules ◽

10.1021/ma011026t ◽

2002 ◽

Vol 35 (14) ◽

pp. 5712-5719 ◽

Cited By ~ 36

Author(s):

Grant D. Smith ◽

Dmitry Bedrov

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Ethylene Oxide ◽

Dynamics Simulation ◽

Dilute Aqueous Solution ◽

Poly Ethylene Oxide ◽

Polar Interactions ◽

Poly Ethylene

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Molecular Dynamics Simulation and Thermodynamic Modeling of the Self-Assembly of the Triterpenoids Asiatic Acid and Madecassic Acid in Aqueous Solution

The Journal of Physical Chemistry B ◽

10.1021/jp074310g ◽

2008 ◽

Vol 112 (8) ◽

pp. 2357-2371 ◽

Cited By ~ 13

Author(s):

Brian C. Stephenson ◽

Arthur Goldsipe ◽

Daniel Blankschtein

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Thermodynamic Modeling ◽

Self Assembly ◽

The Self ◽

Dynamics Simulation ◽

Asiatic Acid

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Effects of Urea, Tetramethyl Urea, and TrimethylamineN-Oxide on Aqueous Solution Structure and Solvation of Protein Backbones: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp9084926 ◽

2010 ◽

Vol 114 (1) ◽

pp. 557-568 ◽

Cited By ~ 128

Author(s):

Haiyan Wei ◽

Yubo Fan ◽

Yi Qin Gao

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Solution Structure ◽

Dynamics Simulation ◽

Protein Backbones

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Investigation of a poly(oxyethylene) chain by a molecular dynamics simulation in an aqueous solution and by Langevin dynamics simulations

Molecular Physics ◽

10.1080/00268979100102531 ◽

1991 ◽

Vol 74 (4) ◽

pp. 715-733 ◽

Cited By ~ 20

Author(s):

M. Depner ◽

B.L. Schürmann ◽

F. Auriemma

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Langevin Dynamics ◽

Dynamics Simulation ◽

Dynamics Simulations

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Molecular Dynamics Simulation of Parvalbumin in Aqueous Solution

Structure, Dynamics and Function of Biomolecules - Springer Series in Biophysics ◽

10.1007/978-3-642-71705-5_17 ◽

1987 ◽

pp. 75-81

Author(s):

Peter Ahlström ◽

Olle Teleman ◽

Bo Jönsson ◽

Sture Forsén

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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Molecular dynamics simulation of homogeneous nucleation of supersaturated potassium chloride (KCl) in aqueous solutions

CrystEngComm ◽

10.1039/c9ce01084j ◽

2019 ◽

Vol 21 (48) ◽

pp. 7507-7518 ◽

Cited By ~ 1

Author(s):

Soroush Ahmadi ◽

Yuanyi Wu ◽

Sohrab Rohani

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Aqueous Solutions ◽

Potassium Chloride ◽

Homogeneous Nucleation ◽

Md Simulation ◽

Crystal Nucleation ◽

Dynamics Simulation

Molecular dynamics (MD) simulation is used to investigate the mechanism of crystal nucleation of potassium chloride (KCl) in a supersaturated aqueous solution at 293 K and 1 atm.

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Adsorption of uranyl ions from its aqueous solution by functionalized carbon nanotubes: A molecular dynamics simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.111569 ◽

2019 ◽

Vol 294 ◽

pp. 111569 ◽

Cited By ~ 2

Author(s):

Manish Chopra ◽

Niharendu Choudhury

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Uranyl Ions ◽

Functionalized Carbon Nanotubes

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