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    JCC
    2006
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    On the reversible O2 binding of the Fe-porphyrin complex
    14 years 13 days ago
    On the reversible O2 binding of the Fe-porphyrin complex
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    : Electronic mechanism of the reversible O2 binding by heme was studied by using Density Functional Theory calculations. The ground state of oxyheme was calculated to be open singl...
    Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakat...
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