Planar rearrangements of fullerenes

A notion of planar rearrangement of fullerenes is proposed as a general framework for all conceivable rearrangements of fullerenes satisfying a minimum physicochemical condition. The planar rearrangement is defined as an edge relocation such that the planarity of a given Schlegel diagram remains und...

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Veröffentlicht in:Journal of molecular graphics & modelling 2001-01, Vol.19 (2), p.210-215
Hauptverfasser: Babic, D, Trinajstic, N
Format: Artikel
Sprache:eng
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Zusammenfassung:A notion of planar rearrangement of fullerenes is proposed as a general framework for all conceivable rearrangements of fullerenes satisfying a minimum physicochemical condition. The planar rearrangement is defined as an edge relocation such that the planarity of a given Schlegel diagram remains undisturbed. Graph-theoretical properties of planar rearrangements are discussed and characteristics for establishing a hierarchy between them are pointed out. A number of graph-theoretical concepts have been introduced to provide means for classification and systematic generation of fullerene rearrangements. The simpliest nontrivial rearrangements is shown to be the Stone–Wales rearrangement. © 2001 by Elsevier Science Inc.
ISSN:1093-3263
1873-4243
DOI:10.1016/S1093-3263(00)00114-5