A Combined Quantum Mechanical and Molecular Mechanical Study of the Reaction Mechanism and α-Amino Acidity in Alanine Racemase

2006 ◽  
Vol 128 (50) ◽  
pp. 16345-16357 ◽  
Author(s):  
Dan Thomas Major ◽  
Jiali Gao
Keyword(s):  
Reaction Mechanism ◽  
Alanine Racemase ◽  
Quantum Mechanical ◽  
Mechanical Study

scholarly journals A quantum-mechanical study of the reaction mechanism of sulfite oxidase

2014 ◽  
Vol 19 (7) ◽  
pp. 1165-1179 ◽  
Author(s):  
Marie-Céline van Severen ◽  
Milica Andrejić ◽  
Jilai Li ◽  
Kerstin Starke ◽  
Ricardo A. Mata ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Sulfite Oxidase ◽  
Quantum Mechanical ◽  
Mechanical Study ◽  
Quantum Mechanical Study

Catalytic isomerization of 1-pentene to cis-2-pentene over zeolites: A quantum mechanical study

2007 ◽  
Vol 106 (2-3) ◽  
pp. 394-398 ◽  
Author(s):  
Yu-Hua Guo ◽  
Min Pu ◽  
Hua-Feng Li ◽  
Ling-Yan Liu ◽  
Biao-Hua Chen
Keyword(s):  
Quantum Mechanical ◽  
Catalytic Isomerization ◽  
Mechanical Study ◽  
Quantum Mechanical Study
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