Hydration structures of vanadium/oxovanadium cations in the presence of sulfuric acid: A molecular dynamics simulation study

2019 ◽  
Vol 195 ◽  
pp. 683-692 ◽  
Author(s):  
Ning Zhang ◽  
Boyun Yang ◽  
Jun Huo ◽  
Wenxu Qi ◽  
Xiaopeng Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Sulfuric Acid ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation

scholarly journals First-principles molecular dynamics simulation study on Ti4+ ion in aqueous sulfuric acid

AIP Advances ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 035224
Author(s):  
Yoong-Kee Choe ◽  
Eiji Tsuchida ◽  
Kazuya Tokuda ◽  
Jun Otsuka ◽  
Yoshihiro Saito ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Sulfuric Acid ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
First Principles ◽  
Dynamics Simulation ◽  
Aqueous Sulfuric Acid ◽  
First Principles Molecular Dynamics
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