ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
General structures represented by graphs with unequal interactions (weighted edges) are considered and their characteristic polynomials (spectral polynomials) are obtained. It is shown that the procedure based on pruning terminal vertices previously developed by one of the present authors (K.B., Ref. 1) can be generalized to more common graphs in which nonuniform interactions (unequal couplings) occur. Special cases of the present approach are Möbius graphs, signed graphs, directed graphs, multigraphs, and pseudographs (i.e., graphs with multiple connections and graphs with loops, respectively). Weighted graphs (with general weights) are applicable to a variety of chemical problems such as problems of chemical kinetics, analysis of NMR spectra, the study of simple molecular orbitals, and molecular vibrations.
Additional Material:
12 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560280406
