Abstract
The AM1 computational study of open-chain conjugated and cyclic chemical systems was performed with the aim of evaluating their aromatic character through frontier molecular orbital (FMO) change during the course of the ring formation. The change of the FMO energy difference was also used to determine the relative stability of fused unsaturated cyclic compounds. The relative change of the FMO energy was applied to determine the reaction preference in the hydrogen transfer and cycloaddition reactions. The applicability of the FMO energy gap to determine relative stability of various chemical systems is discussed.
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