Unraveling Lewis acid-base sites in defected MOFs for catalyzing dicyclopentadiene hydrogenation via a DFT study and descriptor exploration
Linmeng Wang, Zhiyuan Liu, Hongyi Gao, Juan Chen, Jingjing Wang, Ping Yang, Wei Wang, Ge Wang, Wei Wang, Wei Wang, Ge Wang
Topics & Concepts
DicyclopentadieneChemistryLewis acids and basesCatalysisBase (topology)Organic chemistryPolymerizationPolymerMathematicsMathematical analysisMetal-Organic Frameworks: Synthesis and ApplicationsCarbon dioxide utilization in catalysisMachine Learning in Materials Science