Concepedia

Comparison of geometries and electronic structures of polyacetylene, polyborole, polycyclopentadiene, polypyrrole, polyfuran, polysilole, polyphosphole, polythiophene, polyselenophene and polytellurophene

Ulrike Salzner, Jolanta B. Lagowski, Peter G. Pickup, Raymond A. Poirier

Synthetic Metals · 1998 · 365 citations · 58 references

DOI

Concepts

References

58

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

, , +15

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

, , +16

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for main group elements Na to Bi

Willard R. Wadt, P. Jeffrey Hay · The Journal of Chemical Physics · 1985 · 10K citations

, , +17

Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities

John P. Perdew, Mel Levy · Physical Review Letters · 1983 · 2.5K citations

, , +16

Compact effective potentials and efficient shared-exponent basis sets for the first- and second-row atoms

Walter J. Stevens, Harold Basch, Morris Krauss · The Journal of Chemical Physics · 1984 · 2.1K citations

, , +17