Concepedia

H<sub>2</sub>O<sub>2</sub> Oxidation by Fe<sup>III</sup>–OOH Intermediates and Its Effect on Catalytic Efficiency

Juan Chen, Apparao Draksharapu, Davide Angelone, Duenpen Unjaroen, Sandeep K. Padamati, Ronald Hage, Marcel Swart, Carole Duboc, Wesley R. Browne

ACS Catalysis · 2018 · 89 citations · 41 references

DOIFull text

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Concepts

Abstract

=O species with a substrate.

References

41

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

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Density-functional exchange-energy approximation with correct asymptotic behavior

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Density-functional approximation for the correlation energy of the inhomogeneous electron gas

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Chemistry with ADF

G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations

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Crystallographic and Spectroscopic Characterization of a Nonheme Fe(IV)=O Complex

Jan‐Uwe Rohde, Jun-Hee In, Mi Hee Lim et al. · Science · 2003 · 924 citations

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