Title: Algorithm for generating generalized resonance structures of single zigzag chains based on interface theory
Authors: Langner, Johanna
Witek, Henryk A.
應用化學系
應用化學系分子科學碩博班
Department of Applied Chemistry
Institute of Molecular science
Keywords: Kekule structure;Clar structure;Interface;Benzenoid;Single zigzag chain
Issue Date: 1-May-2018
Abstract: An alternative formulation of the theory of generalized resonance structures (Clar covers) of single zigzag chains N(n), based on the novel concept of interfaces, is presented. The global structure of every Clar cover can be conveniently expressed as a unique sequence of n interfaces. The complete set of Clar covers is then robustly constructed as the complete set of walks of length on the associated interface connectivity graph. The presented algorithm is readily generalizable to an arbitrary class of benzenoid structures.
URI: http://dx.doi.org/10.1007/s10910-018-0860-2
http://hdl.handle.net/11536/144770
ISSN: 0259-9791
DOI: 10.1007/s10910-018-0860-2
Journal: JOURNAL OF MATHEMATICAL CHEMISTRY
Volume: 56
Begin Page: 1393
End Page: 1406
Appears in Collections:Articles