scholarly journals Density Functional Theory Study of Substituent Effects on the 1,3-Dipolar Cycloaddition Mechanism

2020 ◽  
Author(s):  
Pengliag Sun ◽  
Meng Liu ◽  
Wei Pu ◽  
Yi Jin ◽  
Shixi Liu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Substituent Effects ◽  
Dipolar Cycloaddition ◽  
Density Functional Theory Study ◽  
Functional Theory

The 1,3-dipolar cycloaddition of 1H-pyridinium-3-olate and 1-methylpyridinium-3-olate with methyl acrylate: a density functional theory study

Tetrahedron ◽  
2010 ◽  
Vol 66 (47) ◽  
pp. 9187-9193 ◽  
Author(s):  
Lydia Rhyman ◽  
Hassan H. Abdallah ◽  
Sabina Jhaumeer-Laulloo ◽  
Luis R. Domingo ◽  
John A. Joule ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Methyl Acrylate ◽  
Density Functional ◽  
Dipolar Cycloaddition ◽  
Density Functional Theory Study ◽  
Functional Theory

Ab Initio MO and Density Functional Theory Study of Substituent Effects on Electron Attachment to Benzyl Chlorides

1999 ◽  
Vol 103 (51) ◽  
pp. 11469-11473 ◽  
Author(s):  
Piotr I. Dem'yanov ◽  
Eugene M. Myshakin ◽  
Gernot Boche ◽  
Valery S. Petrosyan ◽  
Leonid N. Alekseiko
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Density Functional ◽  
Substituent Effects ◽  
Electron Attachment ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Benzyl Chlorides ◽  
Ab Initio Mo
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