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Title
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The March model applied to boron cages
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Author
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Abstract
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| The so-called March model of fullerene, in which a self-consistent spherical distribution of pi electrons is combined with the proper nuclear-nuclear potential energy for the correct structure, is here extended to boron cages. The Thomas-Fermi approximation of the initial studies is here replaced by Hartree-Fock calculations. Explicit results for B-2k and B-2k+1(+), with k ranging from 15 to 27, are discussed and compared with calculations on similar clusters found in the literature. (C) 2001 Elsevier Science B.V. All rights reserved. |
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Language
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English
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Source (journal)
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Chemical physics letters. - Amsterdam
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Publication
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Amsterdam
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2001
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ISSN
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0009-2614
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Volume/pages
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347
:4-6
(2001)
, p. 459-464
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ISI
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000171825100029
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Full text (Publisher's DOI)
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Full text (publisher's version - intranet only)
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