Concepedia

Coadsorption of CN and O on Cu (100) surface: A density functional study

Yi Li, Jian Ming Hu, Yong Fan Zhang, Jun Qian Li

Applied Surface Science · 2005 · 15 citations · 77 references

DOI

Concepts

References

77

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

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

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

, , +16

The work function of the elements and its periodicity

Herbert B. Michaelson · Journal of Applied Physics · 1977 · 4.2K citations

, , +8