Electronic structure and geometry of the active centres in anionic polymerization of vinyl monomers

An efficient method for finding the minimum of a function of several variables without calculating derivatives

M. J. D. Powell · The Computer Journal · 1964 · 4.5K citations

Mathematical Programming, Numerical Analysis, Several Variables +15

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. II. Calculations with Complete Neglect of Differential Overlap

John A. Pople, Gerald A. Segal · The Journal of Chemical Physics · 1965 · 1.1K citations

Engineering, Internal Rotation, Computational Chemistry +20

Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments

John A. Pople, Mark S. Gordon · Journal of the American Chemical Society · 1967 · 1K citations

Organic Compounds, Molecular Sciences, Engineering +12

Association of alkyllithium compounds in hydrocarbon media. Alkyllithium-base interactions

Harlan L. Lewis, Theodore L. Brown · Journal of the American Chemical Society · 1970 · 210 citations

Chemical Engineering, Engineering, Chemical Analysis +8