Theoretical Study of the Water Oxidation Mechanism with Non-heme Fe(Pytacn) Iron Complexes. Evidence That the FeIV(O)(Pytacn) Species Cannot React with the Water Molecule To Form the O–O Bond

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Title
Theoretical Study of the Water Oxidation Mechanism with Non-heme Fe(Pytacn) Iron Complexes. Evidence That the FeIV(O)(Pytacn) Species Cannot React with the Water Molecule To Form the O–O Bond
Authors
Keywords
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Journal
INORGANIC CHEMISTRY
Volume 53, Issue 11, Pages 5474-5485
Publisher
American Chemical Society (ACS)
Online
2014-05-09
DOI
10.1021/ic500108g

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