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    JCC
    2006
    58views more  JCC 2006»
    On the reversible O2 binding of the Fe-porphyrin complex
    13 years 4 months ago
    On the reversible O2 binding of the Fe-porphyrin complex
    Download  www.qcri.or.jp
    : 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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    JCC
    2006
    47views more  JCC 2006»
    On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes
    13 years 4 months ago
    On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes
    Download  www.qcri.or.jp
    : Based on our previous study for the O2 binding of the Fe
    Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakat...
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