scholarly journals Substituent Effects and the Energetics of Noncatalyzed Aryl Halide Aminations: A Theoretical Investigation

ACS Omega ◽  
2021 ◽  
Author(s):  
Supreeth Prasad ◽  
Dylan D. Rodene ◽  
Michael B. Burkholder ◽  
Kelling J. Donald ◽  
B. Frank Gupton
Keyword(s):  
Theoretical Investigation ◽  
Aryl Halide ◽  
Substituent Effects

scholarly journals Reverse Cope Elimination of Hydroxylamines and Alkenes or Alkynes: Theoretical Investigation of Tether Length and Substituent Effects

2012 ◽  
Vol 134 (4) ◽  
pp. 2434-2441 ◽  
Author(s):  
Elizabeth H. Krenske ◽  
Edwin C. Davison ◽  
Ian T. Forbes ◽  
Jacqueline A. Warner ◽  
Adrian L. Smith ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Substituent Effects

Claisen rearrangements of benzyl vinyl ethers: theoretical investigation of mechanism, substituent effects, and regioselectivity

2017 ◽  
Vol 15 (37) ◽  
pp. 7887-7893 ◽  
Author(s):  
Elizabeth H. Krenske ◽  
Jed M. Burns ◽  
Ross P. McGeary
Keyword(s):  
Theoretical Investigation ◽  
Theoretical Calculations ◽  
Substituent Effects ◽  
Vinyl Ethers ◽  
Claisen Rearrangements

Theoretical calculations are reported which examine the mechanisms of Claisen rearrangements of benzyl vinyl ethers and the ways in which substituents influence reactivity and regioselectivity.

Substituent Effects in Alpha-Amino and Hydroxyphosphonates Addition to Substituted Arylisocyanates: Theoretical Investigation

1999 ◽  
Vol 147 (1) ◽  
pp. 365-365
Author(s):  
Roustem D. Saiakhov ◽  
Albert R. Magafurov ◽  
Vladimir I. Galkin ◽  
Rafael A. Cherkasov
Keyword(s):  
Theoretical Investigation ◽  
Substituent Effects

Substituent effects on the compounds CX1X2•− (X1, X2 = H, F, Cl, Br, I) from theoretical investigation

2012 ◽  
Vol 24 (2) ◽  
pp. 455-461 ◽  
Author(s):  
Junxi Liang ◽  
Yanbin Wang ◽  
Zhiyuan Geng ◽  
Guihua Li ◽  
Yajun Wei
Keyword(s):  
Theoretical Investigation ◽  
Substituent Effects
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