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Algorithm and Annulenoid Kekule Structures for Primitive Coronoids

2 Algorithm and Annulenoid Kekule Structures for Primitive Coronoids [Pg.32]

The algorithm is illustrated below the same example as in Gutman and Cyvin (1989) is used, but a different angularly annelated hexagon (of mode A2) has been chosen as A. [Pg.33]

The origin to the number 2 under point (3) of the above algorithm are the two annulenoid Kekule structures, which have been referred to as proper annulenoid or in—phase (Cyvin SJ 1990). They are indicated below. [Pg.33]

There exist also two improper annulenoid or out-of—phase Kekule structures of a primitive coronoid (Cyvin SJ 1990). In the present example  [Pg.33]

The improper annulenoid Kekul6 structures possess aromatic sextets in contrast to the proper ones, and they are included in the sets of k and k Kekul6 structures, one in each set. [Pg.34]




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Algorithm for

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Kekul

KekulS

Kekule

Kekule structure

Kekull

Primitives

Structure algorithms

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