Understanding the kinetic solvent effects on the 1,3-dipolar cycloaddition of benzonitrile N-oxide: a DFT study

2011 ◽  
Vol 24 (7) ◽  
pp. 611-618 ◽  
Author(s):  
W. Benchouk ◽  
S. M. Mekelleche ◽  
B. Silvi ◽  
M. J. Aurell ◽  
L. R. Domingo
Keyword(s):  
Solvent Effects ◽  
Dft Study ◽  
Dipolar Cycloaddition

scholarly journals DFT study of the mechanism and stereoselectivity of the 1,3-dipolar cycloaddition between pyrroline-1-oxide and methyl crotonate

2014 ◽  
Vol 126 (1) ◽  
pp. 283-292 ◽  
Author(s):  
KHADIJA MARAKCHI ◽  
RACHIDA GHAILANE ◽  
OUM KALTOUM KABBAJ ◽  
NAJIA KOMIHA
Keyword(s):  
Dft Study ◽  
Dipolar Cycloaddition

A first-principle DFT study of solvent effects on metiamide tautomers and imaginary interactions with H2-receptors

2017 ◽  
Vol 14 (8) ◽  
pp. 1613-1632 ◽  
Author(s):  
Avat Arman Taherpour ◽  
Mahnaz Mahmoodi Fard Chegeni ◽  
Mohammad Mehdi Khodaei ◽  
Negin Tamasoki
Keyword(s):  
Solvent Effects ◽  
Dft Study ◽  
First Principle ◽  
H2 Receptors
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