Computational Chemistry and Molecular Modeling
Atomic, Molecular and Optical Physics
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
A systematic mathematically based approach is made to categorize the different stereochemical possibilities for finite carbon clusters comprised of fully bonded smooth nets of carbon atoms all of which are trigonally hybridized. An exceptional richness of ideas and theorems from topology, differential geometry, and graph theory are found to be relevant and to govern not only the conventional chemical graph-theoretic molecular interconnection patterns but also topo-geometric features of the stereochemically conceivable structures and their associated strain. The usually considered fullerenes (with or without isolated pentagonal rings) form but a fraction of the overall possibilities, some of which e.g., do not require pentagonal rings (or other “small” rings). But too there emerges from the theory certain special structures which turn out often to correspond to experimentally observed fullerenes. © 1994 John Wiley & Sons, Inc.
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