Group for Research in Decision Analysis


Facts and Conjectures about Fullerene Graphs: Leapfrog, Cylinder and Ramanujan Fullerenes

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The definition of a fullerene as a cubic polyhedron made up entirely of pentagons and hexagons is compatible with a huge variety of isomeric forms for structures of chemically achievable size (n ~ 100 (or fewer) vertices or carbon atoms). Generation of complete sets of structures in this size range allows evaluation of conjectures, both chemical and mathematical, on energetics and graph-theoretical properties of this class of molecular graphs. Counterexamples to conjectures of GRAFFITI, including some on fullerenes that are Ramanujan graphs (ramafullerenes) are provided. Graph-theoretical indicators for closure of shells and low overall energy of fullerenes are also briefly discussed.

, 15 pages