Concepedia

Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane

Štefan Vajda, Michael J. Pellin, Jeffrey Greeley, Christopher L. Marshall, Larry A. Curtiss, Gregory Ballentine, Jeffrey W. Elam, Stéphanie Catillon-Mucherie, Paul C. Redfern, Faisal Mehmood,

Nature Materials · 2009 · 813 citations · 39 references

DOI

Concepts

References

39

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 23.1K citations

, , +16

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

, , +13

<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