Understanding the reactivity of captodative ethylenes in polar cycloaddition reactions. A theoretical study.
By Luis R. Domingo, E. Chamorro, Patricia Pérez. Journal of Organic Chemistry, 2008
949 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry
View Paper: https://www.semanticscholar.org/paper/70b1ba35effea79ee3aa80d95779abd853a0482b
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In Atomic and Molecular Physics, and Optics
In Organic Chemistry
Citations in the corpus
- Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity (2016, methodology): “In 2008, we proposed an empirical (relative) nucleophilicity N index for closed-shell organic molecules based on the HOMO energies, EHOMO, obtained within the Kohn-Sham scheme as an approach to the gas phase I, and defined as [50]:”