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
Source: 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.
Document URI: http://hdl.handle.net/1942/3440
DOI: 10.1016/0009-2614(96)00354-5
ISI #: A1996UQ97500001
Type: Journal Contribution
Appears in Collections:Research publications

Show full item record

SCOPUSTM   
Citations

34
checked on Sep 2, 2020

WEB OF SCIENCETM
Citations

39
checked on May 14, 2022

Page view(s)

56
checked on May 20, 2022

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.