Introduction: Although the presence of fullere-nes in the interstellar medium remains a subject for considerable discussion and waits for an unambiguous experimental confirmation, it is generally assumed that the large spherical carbon clusters can be generated within circumstellar envelopes of mass-losing carbon-rich stars [1-14]. The detection of fullerenes in carbo-naceous chondrites, in the...

Structures and relative stabilities of carbon clusters belonging to different families have been investigated for diameters d < or = 5 nm based on an efficient semiempirical molecular dynamics (MD) scheme as well as a density functional theory based simulation. Carbon clusters studied include fullerenes and fullerene-derived structures (e.g., cages and onions), icosahedral structures, bucky-dia...

the topological index of a graph g is a numeric quantity related to g which is invariant underautomorphisms of g. the vertex pi polynomial is defined as piv (g)  euv nu (e)  nv (e).then omega polynomial (g,x) for counting qoc strips in g is defined as (g,x) =cm(g,c)xc with m(g,c) being the number of strips of length c. in this paper, a new infiniteclass of fullerenes is constructed. the ...

An operation on trivalent graphs leads from the truncated cube to buckminsterfullerene, and C60 is the only fullerene with disjoint pentagons which can be obtained by this method. The construction and the proof emphasize maximal independent sets that contains two fifths of vertices of trivalent graphs. In the case of C60 these sets define the structure of experimentally obtained bromofullerene ...

Hydrogenated small fullerenes (Cn, n &lt; 60) are of interest as potential astrochemical species, and intermediates in hydrogen-catalysed fullerene growth. However, the computational identification key stable species is difficult due to vast configurationally space structures. In this study, we explored routes predict hydrogenated fullerenes. We showed that neither local geometry nor electronic...

I have computed the matching polynomials of a number isomers fullerenes various sizes with objective developing molecular descriptors and similarity measures for on basis their polynomials. Two novel polynomial-based topological are developed, they demonstrated to discriminating power contrast closely related fullerenes. The ways place up seven disjoint dimers fullerene shown be identical, as n...