Thermochemistry of FeOmHnz Species: Assessment of Some DFT Functionals
Author:
Affiliation:
1. Institut für Chemie, Humboldt-Universität zu Berlin, Unter den Linden 6, D-10099Berlin, Germany
Funder
Deutsche Forschungsgemeinschaft
Verband der Chemischen Industrie
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00088
Reference44 articles.
1. The reactivity of the active metal oxo and hydroxo intermediates and their implications in oxidations
2. Oxidation Reactions with Bioinspired Mononuclear Non-Heme Metal-Oxo Complexes
3. Oxidation of alkane and alkene moieties with biologically inspired nonheme iron catalysts and hydrogen peroxide: from free radicals to stereoselective transformations
4. Iron and Copper Active Sites in Zeolites and Their Correlation to Metalloenzymes
5. How To Arrive at Accurate Benchmark Values for Transition Metal Compounds: Computation or Experiment?
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