Quantum molecular dynamics simulation of dissociative adsorption of H2/Pt(111)

2005 ◽  
Author(s):  
Takashi Tokumasu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dissociative Adsorption ◽  
Dynamics Simulation ◽  
Quantum Molecular Dynamics

A Quantum Molecular Dynamics Simulation Study of the Initial Hydrolysis Step in Sol−Gel Process

2003 ◽  
Vol 107 (7) ◽  
pp. 1518-1524 ◽  
Author(s):  
Mohamed Elanany ◽  
Parasuraman Selvam ◽  
Toshiyuki Yokosuka ◽  
Seiichi Takami ◽  
Momoji Kubo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Sol Gel ◽  
Dynamics Simulation ◽  
Quantum Molecular Dynamics ◽  
Sol Gel Process

Rapid hydrogen production from water using aluminum nanoclusters: A quantum molecular dynamics simulation study

2014 ◽  
Vol 262 ◽  
pp. 908-910 ◽  
Author(s):  
Priya Vashishta ◽  
Fuyuki Shimojo ◽  
Satoshi Ohmura ◽  
Kohei Shimamura ◽  
Weiwei Mou ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Production ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Quantum Molecular Dynamics
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