Study of reaction mechanisms by semiempirical methods I

An Extended Hückel Theory. I. Hydrocarbons

Roald Hoffmann · The Journal of Chemical Physics · 1963 · 4.6K citations

Hydrogen Orbitals, Physics, Natural Sciences +11

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

John A. Pople, Gerald A. Segal · The Journal of Chemical Physics · 1966 · 1.9K citations

Engineering, Complete Neglect, Physics +14

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

John A. Pople, D. P. Santry, Gerald A. Segal · The Journal of Chemical Physics · 1965 · 1.7K citations

Engineering, Physics, Basis Sets +11

Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap

John A. Pople, D. L. Beveridge, Paul A. Dobosh · The Journal of Chemical Physics · 1967 · 1.5K citations

Engineering, Physics, Differential Overlap +13

Ground states of .sigma.-bonded molecules. IX. MINDO [modified intermediate neglect of differential overlap]/2 method

Michael J. S. Dewar, Edwin Haselbach · Journal of the American Chemical Society · 1970 · 361 citations

Engineering, Altmetric Attention Score, Bibliometrics +18