Methane-to-Methanol Oxidation by the Hydrated Iron(IV) Oxo Species in Aqueous Solution: A Combined DFT and Car−Parrinello Molecular Dynamics Study-Reference-Cited by-同舟云学术

Methane-to-Methanol Oxidation by the Hydrated Iron(IV) Oxo Species in Aqueous Solution: A Combined DFT and Car−Parrinello Molecular Dynamics Study

Published:2004-03-16 Issue:13 Volume:126 Page:4355-4365
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Ensing Bernd¹,Buda Francesco¹,Gribnau Michiel C. M.¹,Baerends Evert Jan¹

Affiliation:

1. Contribution from Theoretical Chemistry, Faculty of Sciences, Vrije Universiteit Amsterdam, De Boelelaan 1083, NL-1081 HV Amsterdam, The Netherlands, and Unilever Research Vlaardingen, Postbus 114, Vlaardingen, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja038865a

Reference51 articles.

1. LXXIII.—Oxidation of tartaric acid in presence of iron

2. FERRYL ION, A COMPOUND OF TETRAVALENT IRON

3. DFT Study of the Active Intermediate in the Fenton Reaction

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