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LCGTO-Xα model cluster study for the chemisorption of CO on twofold sites of Ni surfaces

✍ Scribed by H. Jörg; N. Rösch

Publisher
Elsevier Science
Year
1985
Weight
508 KB
Volume
163
Category
Article
ISSN
0167-2584

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Shape resonance energies in the Xα scatt
Shape resonance energies in the Xα scattered-wave cluster model. A study of CO and N2 adsorbed on Ni surfaces
✍ A. Schichl; D. Menzel; N. Rōsch 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 464 KB

XO~ scattered-wave calculations have been performed to compare the photon energy dependence of rhe valence level photoionization CIOSS sections of molecular CO and N2 and of Ni clusters simulatmg the adsorption of these molecules in the range of the shape resonances. Care has to be taken to avoid mu