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Energetics of fullerene isomer transformation

Eggen, BR, Latham, CD, Heggie, MI, Jones, R and Briddon, PR (1996) Energetics of fullerene isomer transformation Synthetic Metals, 77 (1–3). pp. 165-168.

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Abstract

Stone-Wales transformations are thought to be the most likely route for fullerene isomer interconversion. Several prototype reactions are investigated using local density functional theory on C60Hm (m = 0, 1, 2) and C61 clusters. Transition state energies and geometries are calculated. Adding hydrogen or carbon atoms to C60 is found to catalyse the transformations.

Item Type: Article
Authors :
NameEmailORCID
Eggen, BRUNSPECIFIEDUNSPECIFIED
Latham, CDchristopher.latham@surrey.ac.ukUNSPECIFIED
Heggie, MIm.heggie@surrey.ac.ukUNSPECIFIED
Jones, RUNSPECIFIEDUNSPECIFIED
Briddon, PRUNSPECIFIEDUNSPECIFIED
Date : February 1996
Identification Number : 10.1016/0379-6779(96)80080-4
Related URLs :
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:37
Last Modified : 17 May 2017 12:37
URI: http://epubs.surrey.ac.uk/id/eprint/836070

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