Published on 01 January 2024
Data set for: Computational Insight into the Selectivity of $\gamma$-valerolactone Hydrodeoxygenation over Rh($111$) and Ru($0001$)
View DatasetKauppinen, Minttu Maria
Description
XYZ-format structures for adsorbed species and transition state structures as described in the article "Computational Insight into the Selectivity of $\gamma$-valerolactone Hydrodeoxygenation over Rh($111$) and Ru($0001$)"
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Metrics Over Time
Publication Details
Subfield
Pharmacology
Field
Medicine
Domain
Health Sciences
Confidence Score
86%
Source
Open Alex
Keywords
hydrodeoxygenationRh(111)Ru(0001)DFTgeometrymetal slabbiomassDensity functional theoryheterogeneous catalysisChemical sciencesFOS: Chemical sciencesKemiaKemicatalysiskatalyysikatalysakatalyscomputational chemistrylaskennallinen kemiaberäkningskemi