Concepedia

Molecular cluster theory for chemisorption of first row atoms on nickel (100) surfaces

D. E. Ellis, Hirohiko Adachi, F. W. Averill

Surface Science · 1976 · 158 citations · 40 references

DOI

Concepts

References

40

An Extended Hückel Theory. I. Hydrocarbons

Roald Hoffmann · The Journal of Chemical Physics · 1963 · 4.6K citations

, , +16

Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

Evert Jan Baerends, D. E. Ellis, P. Ros · Chemical Physics · 1973 · 3.2K citations

, , +12

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies

Robert S. Mulliken · The Journal of Chemical Physics · 1955 · 2K citations

, , +12

Self-Consistent Model of Hydrogen Chemisorption

D. M. Newns · Physical Review · 1969 · 1.6K citations

, , +17

Electronic Population Analysis on LCAO-MO Molecular Wave Functions. IV. Bonding and Antibonding in LCAO and Valence-Bond Theories

Robert S. Mulliken · The Journal of Chemical Physics · 1955 · 922 citations

, , +13