| Structures and energetics of helium cluster cations: equilibrium geometries revisited through the genetic algorithm approach. | |
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MedLine Citation:
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PMID: 21033795 Owner: NLM Status: In-Process |
Abstract/OtherAbstract:
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Equilibrium geometries and dissociation energies of He(N)(+) clusters have been calculated for N=3-35 using an extended genetic algorithm approach and a semiempirical model of intracluster interactions [P. J. Knowles, J. N. Murrell, and E. J. Hodge, Mol. Phys. 85, 243 (1995)]. A general aufbau principle is formulated for both ionic cores and neutral solvation shells, and the results are thoroughly compared with other theoretical data available for helium cluster cations in literature. |
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Authors:
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Karel Oleksy; František Karlický; René Kalus |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: The Journal of chemical physics Volume: 133 ISSN: 1089-7690 ISO Abbreviation: J Chem Phys Publication Date: 2010 Oct |
Date Detail:
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Created Date: 2010-11-01 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0375360 Medline TA: J Chem Phys Country: United States |
Other Details:
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Languages: eng Pagination: 164314 Citation Subset: - |
Affiliation:
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Department of Physics, Faculty of Science, University of Ostrava, 30. dubna 22, Ostrava 701 03, Czech Republic. karel.oleksy@osu.cz |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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