Concepedia

Density functional cluster model study of bonding and coordination modes of CO2 on Pd(111)

Marie-Pierre Habas, Franca Mele, Mariona Sodupe, Francesc Illas

Surface Science · 1999 · 26 citations · 59 references

DOI

Concepts

References

59

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

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

Can (semi)local density functional theory account for the London dispersion forces?

Sándor Kristyán, Péter Pulay · Chemical Physics Letters · 1994 · 1K citations

, , +13

Surface chemistry of carbon dioxide

H.‐J. Freund, M. W. Roberts · Surface Science Reports · 1996 · 889 citations · Full text

, , +10

A density-functional study of van der Waals forces: rare gas diatomics

JoséM. Pérez-Jordá, Axel D. Becke · Chemical Physics Letters · 1995 · 520 citations

, , +16