Molecular Dynamics Simulation Study of Lanthanide Ions Ln3+ in Aqueous Solution Including Water Polarization. Change in Coordination Number from 9 to 8 along the Series

1995 ◽  
Vol 117 (13) ◽  
pp. 3790-3799 ◽  
Author(s):  
Th. Kowall ◽  
F. Foglia ◽  
L. Helm ◽  
A. E. Merbach
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulation ◽  
Coordination Number ◽  
Simulation Study ◽  
Lanthanide Ions ◽  
Dynamics Simulation ◽  
Polarization Change

scholarly journals Influence on ferric chloride aqueous solution caused by external electrostatic field: a molecular dynamics simulation study

RSC Advances ◽  
2018 ◽  
Vol 8 (68) ◽  
pp. 38706-38714 ◽  
Author(s):  
Shi Zhibo ◽  
Li Liyi ◽  
Han Yong ◽  
Bai Jie
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulation ◽  
Ferric Chloride ◽  
Electrostatic Field ◽  
Simulation Study ◽  
Dynamic Properties ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Electrostatic Fields

A detailed analysis of structural properties and dynamic properties of ferric chloride aqueous solution under external electrostatic fields with different intensities was performed by molecular dynamics (MD) simulations.

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