On the mechanism of proton transfer in the 2-hydroxypyridine α 2-pyridone tautomeric equilibrium

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

Warren J. Hehre, R. F. Stewart, John A. Pople · The Journal of Chemical Physics · 1969 · 4.2K citations

Natural Sciences, Chemistry, Physics +17

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

J. Stephen Binkley, John A. Pople, Warren J. Hehre · Journal of the American Chemical Society · 1980 · 3.9K citations

Natural Sciences, Chemistry, Computational Chemistry +7

Energies and alkylations of tautomeric heterocyclic compounds: old problems - new answers

Peter Beak · Accounts of Chemical Research · 1977 · 368 citations

Natural Sciences, Chemistry, Chemical Kinetics +8

Tautomerization of formamide, 2-pyridone, and 4-pyridone: an ab initio study

H. Bernhard Schlegel, Peter Gund, Eugene M. Fluder · Journal of the American Chemical Society · 1982 · 193 citations

Pharmacy, Medicinal Chemistry, Drug Design +5

The electron distribution in crystalline α-pyridone

B. R. Penfold · Acta Crystallographica · 1953 · 122 citations · Full text

Natural Sciences, Chemistry, Physics +17