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富勒烯的拓扑结构。

The topology of fullerenes.

作者信息

Schwerdtfeger Peter, Wirz Lukas N, Avery James

机构信息

Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland Auckland, New Zealand ; Fachbereich Chemie, Philipps-Universität Marburg Marburg, Germany.

Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland Auckland, New Zealand.

出版信息

Wiley Interdiscip Rev Comput Mol Sci. 2015 Jan;5(1):96-145. doi: 10.1002/wcms.1207.

Abstract

Fullerenes are carbon molecules that form polyhedral cages. Their bond structures are exactly the planar cubic graphs that have only pentagon and hexagon faces. Strikingly, a number of chemical properties of a fullerene can be derived from its graph structure. A rich mathematics of cubic planar graphs and fullerene graphs has grown since they were studied by Goldberg, Coxeter, and others in the early 20th century, and many mathematical properties of fullerenes have found simple and beautiful solutions. Yet many interesting chemical and mathematical problems in the field remain open. In this paper, we present a general overview of recent topological and graph theoretical developments in fullerene research over the past two decades, describing both solved and open problems. 2015, 5:96-145. doi: 10.1002/wcms.1207 Conflict of interest: The authors have declared no conflicts of interest for this article. For further resources related to this article, please visit the WIREs website.

摘要

富勒烯是形成多面体笼状结构的碳分子。它们的键结构恰好是仅由五边形和六边形面构成的平面立方图。引人注目的是,富勒烯的许多化学性质都可以从其图结构推导出来。自从20世纪初戈德堡、考克斯特等人对立方平面图和富勒烯图进行研究以来,已经发展出了丰富的关于它们的数学理论,并且富勒烯的许多数学性质都找到了简单而优美的解法。然而,该领域中仍存在许多有趣的化学和数学问题尚未解决。在本文中,我们对过去二十年来富勒烯研究中拓扑学和图论的最新进展进行了全面概述,描述了已解决的问题和未解决的问题。2015年,第5卷,96 - 145页。doi: 10.1002/wcms.1207 利益冲突:作者声明本文不存在利益冲突。有关本文的更多资源,请访问WIREs网站。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e21f/4313690/e7c1dd70b921/wcms0005-0096-f1.jpg

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