scholarly journals Cospatial σ-Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with π-Systems: A Quantum Mechanical Study

ACS Omega ◽  
2021 ◽  
Vol 6 (4) ◽  
pp. 3319-3329
Author(s):  
Mahmoud A. A. Ibrahim ◽  
Ossama A. M. Ahmed ◽  
Sabry El-Taher ◽  
Jabir H. Al-Fahemi ◽  
Nayra A. M. Moussa ◽  
...  
Keyword(s):  
Lone Pair ◽  
Quantum Mechanical ◽  
Halogen Compounds ◽  
Mechanical Study ◽  
Quantum Mechanical Study ◽  
Lone Pair Interactions ◽  
Pair Interactions

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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