The ground-state singlet potential surface for C2H4

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.5K citations

Natural Sciences, Chemistry, Physics +11

The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations

Natural Sciences, Chemistry, Physics +14

The 1,2 hydrogen shift: a common vehicle for the disappearance of evanescent molecular species

Henry F. Schaefer · Accounts of Chemical Research · 1979 · 215 citations

Natural Sciences, Chemistry, Astrochemistry +4

Heats of formation of gaseous free radicals via ion cyclotron double resonance spectroscopy

Douglas J. DeFrees, Robert T. McIver, Warren J. Hehre · Journal of the American Chemical Society · 1980 · 149 citations

Natural Sciences, Chemistry, Analytical Chemistry +5

The vinylidene-acetylene isomerization barrier

R. Krishnan, Michael J. Frisch, John A. Pople et al. · Chemical Physics Letters · 1981 · 130 citations

Natural Sciences, Chemistry, Organic Chemistry +4