Journal article

Structural predictions for (C-60)(N) clusters with an all-atom potential

Abstract:: We calculate the structures of neutral (C60)N clusters up to N = 56 using an all-atom potential to test our prediction that face-centred-cubic geometries are favourable at small sizes due to the short range of the intermolecular potential. We find that above N = 17 the lowest energy structures are either decahedral or face-centred-cubic rather than icosahedral and discuss how these conclusions might be probed experimentally. © 1997 Elsevier Science B.V.

Publication status:: Published

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APA Style

Doye, J., Dullweber, A., & Wales, D. (1997). Structural predictions for (C-60)(N) clusters with an all-atom potential. CHEMICAL PHYSICS LETTERS, 269(5-6), 408–412.

MLA Style

Doye, J, et al. “Structural Predictions for (C-60)(N) Clusters with an All-Atom Potential.” CHEMICAL PHYSICS LETTERS, vol. 269, nos. 5-6, 1997, pp. 408–12.

Chicago Style

Doye, J, A Dullweber, and D Wales. 1997. “Structural Predictions for (C-60)(N) Clusters with an All-Atom Potential.” CHEMICAL PHYSICS LETTERS 269 (5-6): 408–12.
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Publisher copy:: 10.1016/S0009-2614(97)00318-7

Authors

+ Doye, J More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Physical & Theoretical Chem
Role:: Author

+ Dullweber, A More by this author

Role:: Author

+ Wales, D More by this author

Role:: Author

Journal:: CHEMICAL PHYSICS LETTERS More from this journal
Volume:: 269
Issue:: 5-6
Pages:: 408-412
Publication date:: 1997-05-09
DOI:: 10.1016/S0009-2614(97)00318-7
ISSN:: 0009-2614

Pubs id:: pubs:45524
UUID:: uuid:12ae7b2a-bceb-469a-a844-f382f2905227
Local pid:: pubs:45524
Source identifiers:: 45524
Deposit date:: 2012-12-19
ARK identifier:: ark:/29072/ora_12ae7b2abceb469aa844f382f2905227

Terms of use

Copyright date:: 1997

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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