Generation of specifically substituted pyridines and pyridones from 2(1h) pyrazinones and acetylenes : A FMO description

Ground states of molecules. 38. The MNDO method. Approximations and parameters

Michael J. S. Dewar, Walter Thiel · Journal of the American Chemical Society · 1977 · 5.1K citations

Natural Sciences, Chemistry, Computational Chemistry +5

Mechanistic Aspects of Diels‐Alder Reactions: A Critical Survey

Jürgen Sauer, Reiner Sustmann · Angewandte Chemie International Edition in English · 1980 · 947 citations

Natural Sciences, Chemistry, Computational Chemistry +14

Frontier molecular orbital theory of cycloaddition reactions

K. N. Houk · Accounts of Chemical Research · 1975 · 795 citations

Natural Sciences, Chemistry, Chemical Kinetics +8

Diels-alder reactions of azadienes

Dale L. Boger · Tetrahedron · 1983 · 627 citations

Natural Sciences, Chemistry, Organic Chemistry +10

Ionization potentials, electron affinities, and reactivities of cyanoalkenes and related electron-deficient alkenes. A frontier molecular orbital treatment of cyanoalkene reactivities in cycloaddition, electrophilic, nucleophilic, and radical reactions

K. N. Houk, Linda L. Munchausen · Journal of the American Chemical Society · 1976 · 165 citations

Natural Sciences, Chemistry, Computational Chemistry +12