Electronic and Atomistic Roles of Cordierite Substrate in Sintering of Washcoated Catalysts for Automotive Exhaust Gas Emissions Control: Multi-scale Computational Chemistry Approach based on Ultra-Accelerated Quantum Chemical Molecular Dynamics Method

2012 ◽  
Author(s):  
Akira Miyamoto ◽  
Ryo Nagumo ◽  
Ai Suzuki ◽  
Ryuji Miura ◽  
Hideyuki Tsuboi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Computational Chemistry ◽  
Quantum Chemical ◽  
Molecular Dynamics Method ◽  
Exhaust Gas ◽  
Automotive Exhaust ◽  
Multi Scale ◽  
Exhaust Gas Emissions ◽  
Quantum Chemical Molecular Dynamics ◽  
Dynamics Method

A Theoretical Study on the Realistic Low Concentration Doping in Silicon Semiconductors by Accelerated Quantum Chemical Molecular Dynamics Method

2003 ◽  
Vol 42 (Part 1, No. 4B) ◽  
pp. 1877-1881 ◽  
Author(s):  
Toshiyuki Yokosuka ◽  
Katsumi Sasata ◽  
Hitoshi Kurokawa ◽  
Seiichi Takami ◽  
Momoji Kubo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Quantum Chemical ◽  
Theoretical Study ◽  
Molecular Dynamics Method ◽  
Low Concentration ◽  
Quantum Chemical Molecular Dynamics ◽  
Dynamics Method
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