Calculating the characteristic polynomial, eigenvectors and number of spanning trees of a hexagonal system
β Scribed by John, Peter; Sachs, Horst
- Book ID
- 111963651
- Publisher
- Royal Society of Chemistry
- Year
- 1990
- Tongue
- English
- Weight
- 633 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0956-5000
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## Abstract The theorem of Gutman et al. (1983) is applied to calculate the number of spanning trees in the carbonβcarbon connectivityβnetwork of the recently diagnosed C~60~βcluster buckminsterfullerene. This βcomplexityβ turns out to be approximately 3.75 Γ 10^20^ and it is found necessary to inv
The sextet polynomial that counts different ways of selecting varying number of resonating sextets on the hexagonal system is computed using a search based symbol manipulation algorithm. This is a #P Complete combinatorial enumeration problem, and artificial intelligence (AI) is employed for efficie
The quantum mechanical relevance of the concept of a spanning tree extant within a given molecular graph-specifically, one that may be considered to represent the carbon-atom connectivity of a particular (planar) conjugated system-was first explicitly pointed out by Professor Roy McWeeny in his now-