New computational strategies for the quantum mechanical study of biological systems in condensed phases

2001 ◽  
pp. 467-538 ◽  
Author(s):  
Carlo Adamo ◽  
Maurizio Cossi ◽  
Nadia Rega ◽  
Vincenzo Barone
Keyword(s):  
Biological Systems ◽  
Quantum Mechanical ◽  
Condensed Phases ◽  
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
Sign in / Sign up

Export Citation Format

Share Document