Concepedia

Local adsorption sites and bondlength changes in Ni/H/CO and Ni/CO

J. Hoeft, M. Polčík, D. I. Sayago, M. Kittel, Ralf Terborg, R.L. Toomes, J. Robinson, D.P. Woodruff, M. Pascal, G. Nisbet,

Surface Science · 2003 · 21 citations · 41 references

DOI

Concepts

References

41

Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

M. C. Payne, M. P. Teter, D. C. Allan et al. · Reviews of Modern Physics · 1992 · 9.6K citations

, , +16

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

Reliability factors for LEED calculations

J. B. Pendry · Journal of Physics C Solid State Physics · 1980 · 1.1K citations

, , +1

Structural Influences on Adsorption Energy. II. CO on Ni(100)

J. C. Tracy · The Journal of Chemical Physics · 1972 · 521 citations

, , +17

Adsorption of CO on a Ni(111) surface

K. Christmann, Otmar Schober, G. Ertl · The Journal of Chemical Physics · 1974 · 359 citations · Full text

, , +17