Increasing cost of pentagon adjacency for larger fullerenes

E. E.B. Campbell, P. W. Fowler, D. Mitchell, F. Zerbetto

Research output: Contribution to journalArticlepeer-review

122 Scopus citations

Abstract

The cost of a pentagon adjacency in a fullerene cage grows linearly from 72 kJ mol-1 for C30 to 111 kJ mol-1 for C60, according to systematic QCFF/PI model calculations on a set of 2624 structural isomers.

Original languageEnglish
Pages (from-to)544-548
Number of pages5
JournalChemical Physics Letters
Volume250
Issue number5-6
DOIs
StatePublished - 8 Mar 1996

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