Graphite: The Ultimate Large Aromatic Molecule

Autor: Campbell, SJ, Kelly, DC, Peacock, TE
Zdroj: Australian Journal of Chemistry; 1989, Vol. 42 Issue: 4 p479-488, 10p
Abstrakt: 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.
Databáze: Supplemental Index