Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution

2002 ◽  
Vol 23 (3) ◽  
pp. 341-350 ◽  
Author(s):  
Caterina Benzi ◽  
Roberto Improta ◽  
Giovanni Scalmani ◽  
Vincenzo Barone
Keyword(s):  
Aqueous Solution ◽  
Quantum Mechanical ◽  
Conformational Behavior ◽  
Mechanical Study ◽  
Dipeptide Analogues ◽  
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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