Concepedia

Properties of atoms in molecules. The position of the center of electronic charge of an atom in a molecule

Peter Politzer, E. W. Stout

Chemical Physics Letters · 1971 · 20 citations · 10 references

DOI

Concepts

References

10

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(<i>X</i>1Σ<i>g</i>+) and N2+(<i>X</i>2Σ<i>g</i>+, <i>A</i>2Π<i>u</i>, <i>B</i>2Σ<i>u</i>+) Molecular Ions

Paul E. Cade, Keith D. Sales, Arnold C. Wahl · The Journal of Chemical Physics · 1966 · 460 citations

, , +16

Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2

G. Das, Arnold C. Wahl · The Journal of Chemical Physics · 1966 · 429 citations

, , +14

Properties of atoms in molecules. I. Proposed definition of the charge on an atom in a molecule

Peter Politzer, Roger R. Harris · Journal of the American Chemical Society · 1970 · 174 citations

, , +6

The stability of a wavefunction under a perturbation

G. G. Hall · Philosophical magazine · 1961 · 127 citations

, , +14

Simple Bond-Charge Model for Potential-Energy Curves of Homonuclear Diatomic Molecules

Robert G. Parr, Raymond F. Borkman · The Journal of Chemical Physics · 1968 · 110 citations

, , +12