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Applicability of Density Functional Tight Binding Method with Dispersion Correction to Investigate the Adsorption of Porphyrin/Porphycene Metal Complexes on Graphene

Kanematsu Yusuke , Gohara Kazutoshi , Yamada Hiroko , Takano Yu

… We computed adsorbed structures of transition-metal complexes of porphyrin and porphycene on graphene, and evaluated the adsorption energies. …

Chemistry Letters 46(1), 51-52, 2017

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Chemistry Letters