Sandi Klavžar , Aleksander Vesel , Petra Žigert , Ivan Gutman
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Binary coding of Kekulé structures of catacondensed benzenoid hydrocarbons
An algorithm is described by means of which the Kekulé structures of a catacondensed benzenoid molecule (with h hexagons) are transformed into binary codes (of length h). By this, computer-aided manipulations with, and memory-storage of Kekulé structures are much facilitated. Any Kekulé structure can easily be recovered from its binary code.
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