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- Document type:
- Journal Article
- Author(s):
- Petrova, G. P.; Vayssilov, G. N.; Rosch, N.
- Title:
- Interaction of ethene and ethyne with bare and hydrogenated Ir-4 clusters. A density functional study
- Abstract:
- The paper reports a computational study of species that can be formed during ethene hydrogenation on iridium clusters. The simulated concentrations of the complexes (C2Hm)Ir4Hn (
- Congress title:
- ISI Document Delivery No.: 808XZ Times Cited: 1 Cited Reference Count: 56 Petrova, Galina P. Vayssilov, Georgi N. Roesch, Notker Bulgarian National Science Fund [D002-184/08]; Deutsche Forschungsgemeinschaft; Fonds der Chemischen Industrie (Germany) This work was supported by the Bulgarian National Science Fund (Contract D002-184/08 and National Center for Advanced Materials UNION), Deutsche Forschungsgemeinschaft, and Fonds der Chemischen Industrie (Germany). We gratefully acknowledge generou... »
- Journal title:
- Catalysis Science & Technology
- Year:
- 2011
- Journal volume:
- 1
- Journal issue:
- 6
- Pages contribution:
- 958-970
- Fulltext / DOI:
- doi:10.1039/c1cy00114k
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