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Oxides of small Rhodium clusters: Theoretical investigation of experimental reactivities.

Abstract:

Density functional theory is used to investigate the structures of cationic rhodium cluster oxides, Rh(6)O(m) (+) (m=1,4). On the monoxide and dioxide, the oxygen atoms occupy bridge sites, while on trioxide and tetroxide clusters, high-coordination sites are favored. A range of spin multiplicities are investigated for each cluster, with high spin multiplicities found to be less favored for the oxides compared with the naked metal clusters. The dissociation of nitric oxide on low-energy isome...

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Publication status:
Published

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Publisher copy:
10.1063/1.2981810

Authors


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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Journal:
The Journal of chemical physics
Volume:
129
Issue:
12
Pages:
124304
Publication date:
2008-09-05
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
URN:
uuid:b8de50b4-6c81-4dcd-87e5-5fbbfd6f5fa0
Source identifiers:
58990
Local pid:
pubs:58990
Language:
English

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