Tomislav Došlić
6603584685
Publications - 2
Spectral properties of fullerene graphs
Publication Name: Match
Publication Date: 2011-12-01
Volume: 66
Issue: 3
Page Range: 733-742
Description:
We use a result from the theory of geometric representation of graphs to show that the separator of a fullerene graph on n vertices cannot exceed 24/n, thus improving the best currently known upper bound of 1-3/n. The result is then combined with a recently established upper bound on the smallest eigenvalue of fullerene graphs to show that there are only finitely many Ramanujan fullerenes. That settles down a conjecture on fullerenes made by the Graffiti software.
Open Access: Yes
DOI: DOI not available
Classification of fullerene isomers using local topological descriptors
Publication Name: Materials Science Forum
Publication Date: 2010-01-01
Volume: 659
Issue: Unknown
Page Range: 447-451
Description:
A method for the structural classification of fullerenes via graph invariants is presented. These graph invariants (called edge-parameters) represent the 9 different types of bonds existing in fullerenes between two neighbouring carbon atoms and they are also applicable to classify the fullerene isomers into equivalence classes. Discriminating performance of edge-parameters has been tested on the sets of C40 and C66 fullerene isomers. It is shown that the stability of C40 and C66 isomers can be efficiently predicted using a novel topological descriptor (Ω) defined as a function of four appropriately selected edge parameters. © (2010) Trans Tech Publications.
Open Access: Yes
