Spectra and structural polynomials of graphs of relevance to the theory of molecular conduction
Fowler, Patrick W. ...
V kemiji in fiziki je distortivnost ▫$\pi$▫-sistemov (stabilizacija vezi-alternirajocih struktur) pomembna pri računanju geometrijskih, energijskih in elektronskih lastnosti molekul s pomočjo metod ...teorije grafov. Uporabimo spektre poti in ciklov z alternirajočimi vozliščnimi in po vezavnimi utežmi, da dobimo lastne vrednosti in lastne vektorje za razred linearnih in cikličnih lestev z alternirajocimi povezavnimi utežmi. Izpeljemo karakteristične polinome in druge strukturne polinome, dobljene iz kofaktorjev karakteristične matrike za te grafe. Dobimo tudi spektre in strukturne polinome za lestve s preobrnjenimi utežmi in/ali Möbiusovo topologijo. V vseh primerih lahko strukturne polinome sestavljenih grafov izrazimo kot produkte polinomov grafov polovičnega reda. Ta oblika izrazov omogoča globalne izpeljave v zvezi s transmisijskimi spektri molekulskih naprav v okviru s teorijo grafov podprte teorije balistične molekulske prevodnosti.
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