Abstract
Previously, we have studied the coordination and dissociation of hydrogen peroxide with iron(II) in aqueous solution by Car-Parrinello molecular dynamics at room temperature. We presented a few illustrative reaction events, in which the ferryl ion ([Fe(IV)O]
Original language | English |
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Pages (from-to) | 7902-7910 |
Journal | Journal of Physical Chemistry A |
Volume | 106 |
Issue number | 34 |
DOIs | |
Publication status | Published - 2002 |