A note on the parameters for heteroatoms in Pariser-Parr-Pople (PPP) calculations

Quantum theory of molecular electronic structure

R. McWeeny, Barry T. Pickup · Reports on Progress in Physics · 1980 · 728 citations

Natural Sciences, Chemistry, Physics +17

<b>Polarographic Oxidation Potentials of Aromatic Compounds</b>

E. S. Pysh, N. C. YANG · Journal of the American Chemical Society · 1963 · 332 citations

Natural Sciences, Chemistry, Electrochemistry +6

Some Properties of Semiempirical Hamiltonians

Jaroslav Koutecký · The Journal of Chemical Physics · 1967 · 117 citations

Natural Sciences, Chemistry, Physics +17

Semi-empirical Parameters in pi-Electron Systems. III. Heteroatomic Molecules Containing Nitrogen.

Inga Fischer‐Hjalmars, Magnus Sundbom, B. Børdalen et al. · Acta chemica Scandinavica/Acta chemica Scandinavica. B, Organic chemistry and biochemistry/Acta chemica Scandinavica. A, Physical and inorganic chemistry/Acta chemica Scandinavica. Series B. Organic chemistry and biochemistry/Acta chemica Scandinavica. Series A, Physical and inorganic chemistry · 1968 · 94 citations · Full text

Natural Sciences, Chemistry, Physics +16

Ionization potentials and electron affinities of carbo- and heterocyclic?-conjugated molecules

Tosiyasu L. Kunii, Haruo Kuroda · Theoretical Chemistry Accounts · 1968 · 68 citations

Natural Sciences, Chemistry, Quantum Chemistry +10