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The chemical structure of pentacene proposes wide applicability in organic electronic devices for molecules of the Azaacenes type. The manufacturing of electronic devices from the organic semiconductors is motivated by the increase of the capacity and performance of the systems, followed by the reduced cost of manufacture. In this work, we calculate the reorganization energy and the relative position of minimum energy in Tetraazapentacene crystals.

Interaction energy calculation in Azaacenes type molecular crystals applied in organic electronics