Published May 9, 2022
| Version v1
Dataset
Open
DFT/MKM dataset for Rh-WOx pair site catalyst
Authors/Creators
- 1. Department of Chemical Engineering, University of California, Santa Barbara
- 2. Department of Chemical and Biomolecular Engineering, University of Delaware
- 3. Department of Materials Science and Engineering, University of California Irvine
- 4. Department of Chemical Engineering, Columbia University
- 5. Department of Physics and Astronomy, and Irvine Materials Research Institute (IMRI), 21 University of California Irvine
Description
All data required to build the microkinetic model of the Rh-WOx pair site catalyst for hydroformylation and hydrogenation reactions are provided here. Please refer to the READ_ME.pdf for a detailed description of the folder structure and provided files.
Files
Data of DFT_MKM Rh-WOx.zip
Files
(695.2 kB)
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