Searching for zwitterionic intermediates in Hetero Diels–Alder reactions between methyl α,p-dinitrocinnamate and vinyl-alkyl ethers

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

Natural Sciences, Chemistry, Physics +12

Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model

Maurizio Cossi, Nadia Rega, Giovanni Scalmani et al. · Journal of Computational Chemistry · 2003 · 7.9K citations

Natural Sciences, Chemistry, Computational Chemistry +14

Quantitative characterization of the global electrophilicity power of common diene/dienophile pairs in Diels–Alder reactions

Luís R. Domingo, M. José Aurell, Patricia Pérez et al. · Tetrahedron · 2002 · 1.1K citations · Full text

Natural Sciences, Chemistry, Organic Chemistry +8

Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study

Luís R. Domingo, Eduardo Chamorro, Patricia Pérez · The Journal of Organic Chemistry · 2008 · 1.1K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +13

Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions

Luís R. Domingo, Patricia Pérez, J.A. Sáez · RSC Advances · 2012 · 834 citations · Full text

Natural Sciences, Chemistry, Organic Chemistry +16