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|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.|
|ISI #: ||A1996UQ97500001|
|Type: ||Journal Contribution|
|Appears in Collections: ||Research publications|
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