Increasing cost of pentagon adjacency for larger fullerenes

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

doi:10.1016/0009-2614(96)00055-3

Increasing cost of pentagon adjacency for larger fullerenes

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

Department of Physics

Research output: Contribution to journal › Article › peer-review

60 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 language	English
Pages (from-to)	544-548
Number of pages	5
Journal	Chemical Physics Letters
Volume	250
Issue number	5-6
DOIs	https://doi.org/10.1016/0009-2614(96)00055-3
State	Published - 8 Mar 1996

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title = "Increasing cost of pentagon adjacency for larger fullerenes",

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.",

author = "Campbell, {E. E.B.} and Fowler, {P. W.} and D. Mitchell and F. Zerbetto",

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AU - Campbell, E. E.B.

AU - Fowler, P. W.

AU - Mitchell, D.

AU - Zerbetto, F.

PY - 1996/3/8

Y1 - 1996/3/8

N2 - 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.

AB - 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.

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DO - 10.1016/0009-2614(96)00055-3

M3 - Article

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VL - 250

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EP - 548

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5-6

ER -

Increasing cost of pentagon adjacency for larger fullerenes

Abstract

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