A numerical study of molecular information entropies

A Mathematical Theory of Communication

Claude E. Shannon · Bell System Technical Journal · 1948 · 78.4K citations

Wireless Communications, Modulation, Engineering +17

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.5K citations

Electron Density, Organic Molecules, Gaussian Functions +15

The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.5K citations

Polarization Functions, Excited State Property, Engineering +9

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

Engineering, Self-consistent Molecular-orbital Methods, Computational Chemistry +18

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 · 3.8K citations

Engineering, Altmetric Attention Score, Organic Chemistry +16