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Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
RESEARCH ARTICLE

Graphite: The Ultimate Large Aromatic Molecule

SJ Campbell, DC Kelly and TE Peacock

Australian Journal of Chemistry 42(4) 479 - 488
Published: 1989

Abstract

A π-band theory calculation is reported on a single layer of graphite, the nomenclature and methods of molecular orbital theory being used. Interaction between non-nearest neighbours at increasing distances is included to determine the extent of significant electron interaction. A criterion to determine this limit is defined and used. A comparative study is made of the methods available for the evaluation of double integrals over triangular fields.

https://doi.org/10.1071/CH9890479

© CSIRO 1989

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