Water–silica surface interactions: A combined quantum-classical molecular dynamic study of energetics and reaction pathways

2003 ◽  
Vol 119 (13) ◽  
pp. 6418-6422 ◽  
Author(s):  
Mao-Hua Du ◽  
Andrew Kolchin ◽  
Hai-Ping Cheng
Keyword(s):  
Molecular Dynamic ◽  
Silica Surface ◽  
Surface Interactions ◽  
Dynamic Study ◽  
Reaction Pathways ◽  
Classical Molecular Dynamic ◽  
Molecular Dynamic Study

scholarly journals On glyphosate-kaolinite surface interactions. A molecular dynamic study

2020 ◽  
Author(s):  
Edgar Galicia-Andrés ◽  
Daniel Tunega ◽  
Martin H. Gerzabek ◽  
Chris Oostenbrink
Keyword(s):  
Molecular Dynamic ◽  
Surface Interactions ◽  
Dynamic Study ◽  
Molecular Dynamic Study ◽  
Kaolinite Surface
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