A novel application of the Diels–Alder reaction: nitronaphthalenes as normal electron demand dienophiles

Density functional approach to the frontier-electron theory of chemical reactivity

Robert G. Parr, Weitao Yang · Journal of the American Chemical Society · 1984 · 3.6K citations

Natural Sciences, Chemistry, Computational Chemistry +8

The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines

Weitao Yang, Wilfried J. Mortier · Journal of the American Chemical Society · 1986 · 1.9K citations

Natural Sciences, Chemistry, Analytical Chemistry +6

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

Density Functional Theory Prediction of the Relative Energies and Isotope Effects for the Concerted and Stepwise Mechanisms of the Diels−Alder Reaction of Butadiene and Ethylene

Elisheva Goldstein, Brett R. Beno, K. N. Houk · Journal of the American Chemical Society · 1996 · 505 citations

Natural Sciences, Chemistry, Physics +17

Local Softness and Hardness Based Reactivity Descriptors for Predicting Intra- and Intermolecular Reactivity Sequences: Carbonyl Compounds

Ram Kinkar Roy, S. Krishnamurti, Paul Geerlings et al. · The Journal of Physical Chemistry A · 1998 · 421 citations

Natural Sciences, Chemistry, Computational Chemistry +16