A quantum molecular dynamics simulation of an excess electron in methanol

1993 ◽  
Vol 98 (7) ◽  
pp. 5679-5693 ◽  
Author(s):  
Jianjun Zhu ◽  
R. I. Cukier
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Excess Electron ◽  
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
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