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- W2092823669 abstract "The relevant excited states in the rapid photodissociation process of hemoglobin and myoglobin are examined by means of time-dependent density functional theory. Our calculations clearly show that the photodissociation is mediated by two repulsive states (5 A' ' and 3 A') which cross the lowest excited states (1 A' and 1 A' ') at an internuclear Fe-C distance of about 2 A. Electron detachment/attachment density plots nicely explain the repulsive nature of the 5 A' ' and 3 A' states." @default.
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- W2092823669 date "2002-09-21" @default.
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- W2092823669 title "Characterization of the Relevant Excited States in the Photodissociation of CO-Ligated Hemoglobin and Myoglobin" @default.
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- W2092823669 doi "https://doi.org/10.1021/ja026916i" @default.
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