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On Construction of k-Clar Structures

Already in the case of smaller benzenoids, such as benzo[ghi]-perylene, it may be somewhat tedious to find by inspection of all the [Pg.520]

Kekule valence structures all the combination of Kekule valence structures of interest. The same is also true for finding combinations of Kekule valence structures involved in HH-Clar structures. A better way to obtain the correct combinations of Kekule valence structures instead of construction of various superpositions is to first write down k-Clar structures (or HH-Clar structures) and then decompose them into underlying Kekule valence structures. The apparent difficulty that remains in such an approach, that cannot be avoided, is the case of benzenoids having a large number of Kekuld valence structures which results in large number of decomposition. [Pg.521]

Let us clarify what we mean as the derivative structure by returning to Fig. 15 in which we listed the six k-Clar structure of [Pg.521]

The above illustration suggests an algorithm for construction of k-Clar structures that can be outfined as follows  [Pg.523]

This algorithm as stated can be readily implemented in a computer program, even though it may be somewhat demanding when applied to systems having a larger number of Kekule structures. [Pg.523]


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