Possible molecular hydrogen formation me
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Mutsumi Hirama; Toshimasa Ishida; Jun-Ichi Aihara
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Article
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2003
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John Wiley and Sons
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English
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## Abstract Hydrogen molecules cannot be formed readily by the association of gaseous hydrogen atoms. Possible H~2~ formation mediated by the radical cations of typical polycyclic aromatic hydrocarbons (PAHs), anthracene and pyrene, was studied at the B3LYP/6โ31G\*\* level of theory. We presumed th