Molecular dynamics simulation of trivalent europium in aqueous solution: A study on the hydration shell structure

S. Chaussedent; A. Monteil

doi:10.1063/1.472499

Molecular dynamics simulation of trivalent europium in aqueous solution: A study on the hydration shell structure

The Journal of Chemical Physics ◽

10.1063/1.472499 ◽

1996 ◽

Vol 105 (15) ◽

pp. 6532-6537 ◽

Cited By ~ 23

Author(s):

S. Chaussedent ◽

A. Monteil

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Shell Structure ◽

Hydration Shell ◽

Dynamics Simulation ◽

Trivalent Europium

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Molecular Dynamics Simulation Study of Lanthanide Ions Ln3+ in Aqueous Solution. Analysis of the Structure of the First Hydration Shell and of the Origin of Symmetry Fluctuations

The Journal of Physical Chemistry ◽

10.1021/j100035a007 ◽

1995 ◽

Vol 99 (35) ◽

pp. 13078-13087 ◽

Cited By ~ 66

Author(s):

Th. Kowall ◽

F. Foglia ◽

L. Helm ◽

A. E. Merbach

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Hydration Shell ◽

Lanthanide Ions ◽

Dynamics Simulation ◽

First Hydration Shell

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The role of non-additive contributions on the hydration shell structure of Mg2+ studied by Born–Oppenheimer ab initio quantum mechanical/molecular mechanical molecular dynamics simulation

Chemical Physics Letters ◽

10.1016/s0009-2614(01)00923-x ◽

2001 ◽

Vol 346 (5-6) ◽

pp. 485-491 ◽

Cited By ~ 34

Author(s):

Anan Tongraar ◽

Bernd Michael Rode

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Shell Structure ◽

Hydration Shell ◽

Dynamics Simulation ◽

Quantum Mechanical

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Molecular Dynamics Simulation Study of 18-Crown-6 in Aqueous Solution. 1. Structure and Dynamics of the Hydration Shell

The Journal of Physical Chemistry ◽

10.1021/j100075a026 ◽

1994 ◽

Vol 98 (24) ◽

pp. 6216-6224 ◽

Cited By ~ 49

Author(s):

Thomas Kowall ◽

Alfons Geiger

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Hydration Shell ◽

Dynamics Simulation ◽

Structure And Dynamics

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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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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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