Insight into the Solvation Structure of Tetraglyme-Based Electrolytes via First-Principles Molecular Dynamics Simulation

2018 ◽  
Vol 122 (43) ◽  
pp. 10014-10022 ◽  
Author(s):  
Yang Sun ◽  
Ikutaro Hamada
1995 ◽  
Vol 103 (12) ◽  
pp. 5031-5040 ◽  
Author(s):  
G. A. de Wijs ◽  
G. Pastore ◽  
A. Selloni ◽  
W. van der Lugt

2016 ◽  
Vol 45 (24) ◽  
pp. 9812-9819 ◽  
Author(s):  
Chad Priest ◽  
Ziqi Tian ◽  
De-en Jiang

First principles molecular dynamics simulation reveals the structure and solvation of the Ca2UO2(CO3)3 complex in water and the hydrogen bonding network that differentiates the two Ca ions.


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