Theoretical studies of fullerenes, metallofullerenes, and their derivatives have employed a wide spectrum of techniques, in particular graph-theoretical (like the Wiener index), quantum-chemical, and statistical-mechanical treatments, in order to evaluate and rationalize stability, reactivity, and properties of the unique cage species. The theoretical stability measures of various types are analyzed, compared and illustrated on C80 cages satisfying the isolated-pentagon rule.
|Original language||English (US)|
|Number of pages||14|
|State||Published - Apr 21 2008|
ASJC Scopus subject areas
- Computer Science Applications
- Computational Theory and Mathematics
- Applied Mathematics