Quantum mechanical study of the structure and stability of molecular van der Waals' clusters I: hydrates of SO2

1993 ◽  
Vol 26 (S1) ◽  
pp. 326-328 ◽  
Author(s):  
P. L. Moore Plummer ◽  
S. Chattopadhyay ◽  
A. M. Turner ◽  
B. M. Simpson
Keyword(s):  
Van Der Waals ◽  
Quantum Mechanical ◽  
Van Der Waals Clusters ◽  
Structure And Stability ◽  
Mechanical Study ◽  
Quantum Mechanical Study

Structure and stability of the N-hydroxyurea dimer: Post-Hartree–Fock quantum mechanical study

2000 ◽  
Vol 113 (14) ◽  
pp. 5784-5790 ◽  
Author(s):  
Ali Jabalameli ◽  
Ramaiyer Venkatraman ◽  
Andrzej Nowek ◽  
Richard H. Sullivan
Keyword(s):  
Quantum Mechanical ◽  
Structure And Stability ◽  
Hartree Fock ◽  
Mechanical Study ◽  
Quantum Mechanical Study

Scaled quantum mechanical study of 2,6-difluorophenol: a fluorine-containing weak hydrogen-bonded system

1997 ◽  
Vol 269 (5-6) ◽  
pp. 393-400 ◽  
Author(s):  
István Macsári ◽  
Vladiszlav Izvekov ◽  
Attila Kovács
Keyword(s):  
Quantum Mechanical ◽  
Mechanical Study ◽  
Quantum Mechanical Study ◽  
Hydrogen Bonded

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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