Concepedia

Decomposition of N2O over the surface of cobalt spinel: A DFT account of reactivity experiments

Witold Piskorz, Filip Zasada, Paweł Stelmachowski, Andrzej Kotarba, Zbigniew Sojka

Catalysis Today · 2008 · 96 citations · 22 references

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References

22

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

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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

, , +17

Bonded-atom fragments for describing molecular charge densities

F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations

, , +14

General methods for geometry and wave function optimization

Thomas Fischer, Jan Almløf · The Journal of Physical Chemistry · 1992 · 2.6K citations

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The surface science of metal oxides

Materials Characterization · 1995 · 2.4K citations

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