Insight into the mechanism of the key step for the production of 1,4-butanediol on Ni(111) surface: A DFT study
Yiduo Wang, Cheng Liu, He Dong, Yifei Chen
Topics & Concepts
IsomerizationChemistryButyraldehydeCatalysis2-ButeneCis–trans isomerismPhotochemistryPotential energy surfaceMedicinal chemistryStereochemistryOrganic chemistryMoleculeCatalysis for Biomass ConversionCatalysis and Hydrodesulfurization StudiesCatalytic Processes in Materials Science