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1998 (1)
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1Author    Pierre Hansen, Maolin ZhengRequires cookie*
 Title    The Maximum Number of Kekule Structures of Cata-condensed Polyhexes  
 Abstract    Let H denote a simply-connected cata-condensed polyhex. It is shown that if H has three hexagons in a row it does not have a maximum number of Kekule structures. Otherwise, its number of Kekule structures is equal to its number of sets of disjoint hexagons (including the empty set). These results lead to an efficient algorithm to determine simply-connected cata-condensed polyhexes with a maximum number of Kekule structures. A table of such values of H with up to 100 hexagons is provided. 
  Reference    Z. Naturforsch. 48a, 1031—1038 (1993); received March 5 1993 
  Published    1993 
  Keywords    Polyhex, Cata-condensed, Kekule structure, Resonant set, Dualist graph 
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 TEI-XML for    default:Reihe_A/48/ZNA-1993-48a-1031.pdf 
 Identifier    ZNA-1993-48a-1031 
 Volume    48 
2Author    TetsuoM. OrikawaRequires cookie*
 Title    Graph-Theoretical Enumeration of Conjugated Patterns for Carbocyclic and Heterocyclic Compounds  
 Abstract    An algorithmic analysis of the existence o f conjugated patterns for carbocyclic and heterocyclic com pounds is presented. This graph theoretical m ethod is applicable to the enumeration of Kekule patterns for hydrocarbon benzenoids, as a special case. 
  Reference    Z. Naturforsch. 49a, 511 (1994); received June 22 1993 
  Published    1994 
  Keywords    Conjugated pattern, Cyclic com pound, Polygonal graph, Enumeration, Kekule structure 
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 TEI-XML for    default:Reihe_A/49/ZNA-1994-49a-0511.pdf 
 Identifier    ZNA-1994-49a-0511 
 Volume    49 
3Author    Ivan Gutman, SvenJ. Cyvin, Vesna Ivanov-PetrovićRequires cookie*
 Title    Topological Properties of Circumcoronenes  
 Abstract    The regular-hexagon-shaped benzenoid hydrocarbons: B, = benzene (C 6 H 6), B 2 = coronene (C24H12), B 3 = circumcoronene (C 54 H 18), B 4 = circumcircumcoronene (C 15 oH 3 o), etc. possess unique topological properties. General expressions for the most important of such properties (number of fun-damental structural invariants, number of Kekule and Clar structures, number of aromatic sextets, Wie-ner and Szeged indices, spectral moments) are given, including a number of results that are communi-cated here for the first time. Cyclic conjugation in circumcoronenes is analyzed by means of its ener-gy-effect, and found to agree with the predictions of Clar's aromatic sextet theory only in the case of B[ and B 2 . 
  Reference    Z. Naturforsch. 53a, 699—703 (1998); received April 4 1998 
  Published    1998 
  Keywords    Circumcoronenes, Benzenoid Hydrocarbons, Topological Properties (of Benzenoid Hydro-carbons), Kekule Structures, Clar Theory 
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 TEI-XML for    default:Reihe_A/53/ZNA-1998-53a-0699.pdf 
 Identifier    ZNA-1998-53a-0699 
 Volume    53