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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/3440

Title: C-28: The smallest stable fullerene?
Authors: MARTIN, Jan
Issue Date: 1996
Publisher: ELSEVIER SCIENCE BV
Citation: CHEMICAL PHYSICS LETTERS, 255(1-3). p. 1-6
Abstract: The relative energies of different structures of C-28 have been studied by density functional theory using different exchange-correlation functionals, including two with exact exchange contributions. A fullerene structure with T-d symmetry ((5)A(2) state) is found to be by far the most stable structure, followed at 4-6 eV by a graphite sheet fragment and at 5-7 eV by a C-14h ring. Other structures lie still higher in energy, An infrared spectrum of fingerprint quality has been computed for the fullerene and should enable its experimental identification.
Notes: UNIV INSTELLING ANTWERP,DEPT CHEM,INST MAT SCI,B-2610 WILRIJK,BELGIUM.Martin, JML, LIMBURGS UNIV CENTRUM,INST MAT SCI,DEPT SBG,UNIV CAMPUS,B-3590 DIEPENBEEK,BELGIUM.
URI: http://hdl.handle.net/1942/3440
DOI: 10.1016/0009-2614(96)00354-5
ISI #: A1996UQ97500001
ISSN: 0009-2614
Type: Journal Contribution
Appears in Collections: Research publications

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