کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
4652251 1632591 2013 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Invariant Kekulé structures in fullerene graphs
موضوعات مرتبط
مهندسی و علوم پایه ریاضیات ریاضیات گسسته و ترکیبات
پیش نمایش صفحه اول مقاله
Invariant Kekulé structures in fullerene graphs
چکیده انگلیسی

Fullerene graphs are trivalent plane graphs with only hexagonal and pentagonal faces. They are often used to model large carbon molecules: each vertex represents a carbon atom and the edges represent chemical bonds. A totally symmetric Kekulé structure in a fullerene graph is a set of independent edges which is fixed by all symmetries of the fullerene and molecules with totally symmetric Kekulé structures could have special physical and chemical properties, as suggested in [Austin, S.J, and J. Baker, P. W. Fowler, D. E. Manolopoulos, Bond-stretch Isomerism and the Fullerenes, J. Chem. Soc. Perkin Trans. 2 (1994), 2319–2323] and [Rogers, K.M., and P. W. Fowler, Leapfrog fullerenes, Huckel bond order and Kekulé structures, J. Chem. Soc. Perkin Trans. 2 (2001), 18–22]. All fullerenes with at least ten symmetries were studied in [Graver, J.E. The Structure of Fullerene Signature, DIMACS Series of Discrete Mathematics and Theoretical Computer Science 64, AMS (2005), 137–166.] and a complete catalog was given in [Graver, J. E. Catalog of All Fullerene with Ten or More Symmetries DIMACS Series of Discrete Mathematics and Theoretical Computer Science 64 AMS (2005), 167–188]. Starting from this catalog in [Bogaerts, M., and G. Mazzuoccolo, G.Rinaldi, Totally symmetric Kekulé structures in fullerene graphs with ten or more symmetries, MATCH Communications in Mathematical and in Computer Chemistry 69 (2013), 677–705] we established exactly which of them have at least one totally symmetric Kekulé structure.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Electronic Notes in Discrete Mathematics - Volume 40, 15 May 2013, Pages 323-327