Premium
Analytical expressions for the count of LM‐conjugated circuits of benzenoid hydrocarbons
Author(s) -
Guo Xiaofeng,
Randić M.,
Klein D. J.
Publication year - 1996
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1996)60:5<943::aid-qua1>3.0.co;2-x
Subject(s) - conjugated system , electronic circuit , enumeration , chemistry , hydrocarbon , ring (chemistry) , computational chemistry , expression (computer science) , mathematics , stereochemistry , combinatorics , organic chemistry , physics , computer science , quantum mechanics , polymer , programming language
A recursive method for enumeration of linearly independent and minimal conjugated circuits of benzenoid hydrocarbons had previously been given which is valid for several classes of benzenoid hydrocarbons. In the present article, the properties and constructions of unique minimal conjugated circuits and pairs of minimal conjugated circuits of a ring s in a benzenoid hydrocarbon B are investigated. An analytical expression for the count of LM‐conjugated circuits of B is given which is based on the counts of Kekulé structures of selected subgraphs of B . By using the method, the LMC expression of any benzenoid hydrocarbon can be obtained. © 1996 John Wiley & Sons, Inc.