Computational Dataset for "Evidence of radical chemistry in catalytic methane oxybromination" Collection home page

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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-71

This dataset derived results are published in:

Manuscript title: Evidence of radical chemistry in catalytic methane oxybromination

Journal: Nature Catalysis

DOI: 10.1038/s41929-018-0071-z

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 4 of 4
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Feb-2018EuOBr_surfaceLópez, Núriavasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---378.46853794; eV
thumbnail.jpeg1-Feb-2018EuOBr_bulkLópez, Núriavasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---48.01463447; eV
thumbnail.jpeg1-Feb-2018VO2P2O7_surfaceLópez, Núriavasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---1662.29459193; eV
thumbnail.jpeg1-Feb-2018VO2P2O7_bulkLópez, Núriavasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---819.03791944; eV
Collection's Items (Sorted by Submit Date in Descending order): 1 to 4 of 4
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