Concepedia

Theoretical modelling of metal oxides. Influence of field strength on atomic oxygen adsorption and a simple model reaction: Oads+CO → CO2

Martin Nygren, Lars G. M. Pettersson

Chemical Physics Letters · 1994 · 37 citations · 21 references

References

21

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

Natural Sciences, Chemistry, Physics +10

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

Natural Sciences, Chemistry, Physics +15

Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

Arthur J. H. Wachters · The Journal of Chemical Physics · 1970 · 3.4K citations

Natural Sciences, Chemistry, Physics +13

Binding energies in atomic negative ions

H. Hotop, W. C. Lineberger · Journal of Physical and Chemical Reference Data · 1975 · 1.5K citations

Natural Sciences, Chemistry, Physics +9

The averaged coupled-pair functional (ACPF): A size-extensive modification of MR CI(SD)

Robert J. Gdanitz, Reinhart Ahlrichs · Chemical Physics Letters · 1988 · 883 citations

Natural Sciences, Materials Science, Computational Chemistry +2