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Cardinalities of reciprocal graphs
Author(s) -
Mandal Bholanath,
Banerjee Manas,
Mukherjee Asok K.
Publication year - 2004
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/qua.20120
Subject(s) - reciprocal , recurrence relation , combinatorics , mathematics , conjugated system , molecule , chemistry , physics , quantum mechanics , organic chemistry , polymer , philosophy , linguistics
Cardinalities of three classes of the recently investigated reciprocal graphs, viz. L n + n ( p ), C n + n ( p ), and K 1, n −1 + n ( p ) have been shown to be given by two recurrence relations for the first two types and by an analytical formula for the third type. Application of these relations to calculate bond orders of some conjugated molecules has been shown. In the case of C n + n ( p ) and L n + n ( p ), both topological bond orders (TBO) and Hückel bond orders remain nearly independent of n . This has been explained by deriving expressions for TBOs in the form of continued fractions. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004