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Structure of the Si45 cluster

J. Chem. Phys. 95, 8552 (1991); doi:10.1063/1.461813

Issue Date: 1 December 1991

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Daniel A. Jelski and Brian L. Swift
Department of Chemistry, State University of New York, College at Fredonia, Fredonia, New York 14063

Tapio T. Rantala
Department of Physics, University of Oulu, SF-90570 Oulu, Finland

Xinfu Xia
Departments of Chemistry and Physics & Astronomy, 239 Fronczak Hall, State University of New York at Buffalo, Buffalo, New York 14260

Thomas F. George
Departments of Chemistry and Physics, Washington State University, Pullman, Washington 99164-1046
Six structures for the Si45 cluster are compared using a tight-binding model. Two new structures are proposed which appear to be the low-energy isomers and to explain much of the existing experimental data. Cluster reactivity is distinguished from cluster stability, and several reasons are discussed which may lead to a reactive or unreactive species. These criteria are applied to the Si45 isomers, and the results are also correlated with experimental data. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
History: Received 30 July 1991; accepted 27 August 1991
Permalink: http://link.aip.org/link/?JCPSA6/95/8552/1
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KEYWORDS and PACS

Keywords
PACS
  • 36.40.+d
    Studies of special atoms and molecules Atomic and molecular clusters
  • YEAR: 1990-91

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (32)
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