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Chemisorption of molecular oxygen on copper clusters studied by jellium and MO-LCAO models

✍ Scribed by H. Grönbeck; M. Andersson; A. Rosén

Book ID
116169804
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
1010 KB
Volume
5
Category
Article
ISSN
0965-9773

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A jellium approach to the chemisorption
A jellium approach to the chemisorption of molecular oxygen on copper clusters
✍ Henrik Grönbeck; Arne Rosén 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 756 KB

Molecular oxygen chemisorption on copper clusters has been studied using a jellium description of the clusters. Calculations were performed in the framework of the local spin density approximation and the density was expanded according to the MO-LCAO method. To evaluate the applicability of this app