Concepedia

The catalytic activity of Pt6M (M = Pt, Ru, Sn) cluster for methanol partial oxidation

Haixia Xu, Min Zhang, Yanyang Chen, Huiling Liu, Kejin Xu, Xuri Huang

Computational and Theoretical Chemistry · 2015 · 11 citations · 61 references

DOI

Concepts

References

61

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

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

, , +13

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.5K citations

, , +11

<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

Generalized gradient approximation for the exchange-correlation hole of a many-electron system

John P. Perdew, Kieron Burke, Yue Wang · Physical review. B, Condensed matter · 1996 · 6.8K citations

, , +10

Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic Properties

Mika Valden, X. Lai, D. Wayne Goodman · Science · 1998 · 4.1K citations

, , +17