Electron charge redistribution following electrophilic attack on heterocycles: nitrogen as a charge transducer

Optimized Gaussian Basis SCF Wavefunctions for First-Row Atoms

Donald R. Whitman, C. J. Hornback · The Journal of Chemical Physics · 1969 · 146 citations

Engineering, Computational Chemistry, Chemistry +16

Study of the Electronic Structure of Molecules. III. Pyrrole Ground-State Wavefunction

E. Clementi, H. Clementi, Daly Davis · The Journal of Chemical Physics · 1967 · 145 citations

Engineering, Theoretical Inorganic Chemistry, Proton-coupled Electron Transfer +17

A valence force field for furan and pyrrole and their deuterium and methyl derivatives

D. W. Scott · Journal of Molecular Spectroscopy · 1971 · 128 citations

Materials Science, Methyl Derivatives, Engineering +9

Analytical calculation of atomic and molecular electrostatic potentials from the Poisson equation

Shalom Srebrenik, Harel Weinstein, R. Pauncz · Chemical Physics Letters · 1973 · 86 citations

Engineering, Physics, Natural Sciences +11

SCF AB initio study of the protonation of the peptide bond

Alberte Pullman · Chemical Physics Letters · 1973 · 52 citations

Biochemistry, Protein Folding, Peptide Library +5