Article ID Journal Published Year Pages File Type
5393593 Computational and Theoretical Chemistry 2014 6 Pages PDF
Abstract

- Reactions of methyl α,p-dinitrocinnamate with vinyl-alkyl ethers have a polar nature.
- Zwitterions may arise during their course reactions.
- Regioselectivity of reactions can be explained on the basis of electrophilicity indices theory.
- M062x functional overestimates activation energies.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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