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• W2042587560 abstract "We consider the problem of enumeration of so called Clar valence structures in large benzenoid systems. It is known that computationally the problem is NP-hard (i.e. the algorithmic complexity is non-polynomial). We outline an algorithm which is rather straightforward in applications. The approach is constructional, however, its implementation is simple, as one is not required to test the generated valence structures for duplicates, and the systematic application makes it impossible to overlook any of the possible Clar structures. The approach is illustrated on numerous polycyclic benzenoid systems, including some relatively large structures. These valence structures are of quantum-chemical importance and have been used to reproduce SCF resonance energies of benzenoid systems as described by W.C. Herndon and H. Hosoya, Tetrahedron, 40 (1984) 3987." @default.
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• W2042587560 date "1994-02-01" @default.
• W2042587560 modified "2023-10-03" @default.
• W2042587560 title "Graph theoretical analysis of large benzenoid hydrocarbons" @default.
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• W2042587560 doi "https://doi.org/10.1016/0166-1280(94)80020-0" @default.
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