Title of article :
Geometries and electronic structure of extractable C90 fullerenes
Author/Authors :
Okada، نويسنده , , Susumu and Saito، نويسنده , , Susumu، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1995
Pages :
10
From page :
69
To page :
78
Abstract :
We srudy geometries and the electronic structure of C90 fullerences which possess the experimentally observed symmetries C1, C2, and C2v for C90 isomers extracted from soot but presently unidentified. We use the empirical model potential for the structural optimization of these fullerences. Then, their electronic structure is obtained by using the tight-binding model which includes not only the transfer-matrix element but also the overlap-matrix element. From the analysis for structural constituent units, i.e. the pentagon arrangement and residual component units other than pentagons, and from their electronic structure obtained, we select several structural candidates for extracted C90 fullerences.
Journal title :
Chemical Physics Letters
Serial Year :
1995
Journal title :
Chemical Physics Letters
Record number :
1775391
Link To Document :
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