Quantum mechanical study of the proton exchange in the ortho–para H2 conversion reaction at low temperature

2011 ◽  
Vol 13 (42) ◽  
pp. 19089 ◽  
Author(s):  
P. Honvault ◽  
M. Jorfi ◽  
T. González-Lezana ◽  
A. Faure ◽  
L. Pagani
Keyword(s):  
Low Temperature ◽  
Proton Exchange ◽  
Quantum Mechanical ◽  
Conversion Reaction ◽  
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

A quantum mechanical study of bioactive 3-chloro-2,5-dihydroxybenzyl alcohol through substitutions

2011 ◽  
Vol 130 (4-6) ◽  
pp. 965-979 ◽  
Author(s):  
Anoja Pushpamali Wickrama Arachchilage ◽  
Yong Wang ◽  
Feng Wang
Keyword(s):  
Quantum Mechanical ◽  
Mechanical Study ◽  
Quantum Mechanical Study
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