Concepedia

Properties of oxygen sites at the MoO3(010) surface: density functional theory cluster studies and photoemission experiments

Renata Tokarz‐Sobieraj, Klaus Hermann, M. Witko, Gerhard Mestl, R. Schlögl

Surface Science · 2001 · 180 citations · 62 references

DOI

Concepts

References

62

Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

Bjørk Hammer, L. B. Hansen, Jens K. Nørskov · Physical review. B, Condensed matter · 1999 · 8.2K citations · Full text

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Charge, bond order and valence in the AB initio SCF theory

I. Mayer · Chemical Physics Letters · 1983 · 2.2K citations

, , +14

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

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

Handbook of Heterogeneous Catalysis, Vol. 1–5.

Wolfgang Grünert · Chemie Ingenieur Technik · 1999 · 364 citations

, , +14