Machine learning prediction of photocatalytic lignin cleavage of C–C bonds based on density functional theory
Tao Zhang, Chi‐Man Lawrence Wu, Zhi‐Wei Xing, Jianguo Zhang, Shaobin Wang, X. Feng, Jiayuan Zhu, Xinwei Lu, Liwen Mu
Topics & Concepts
LigninBreakagePhotocatalysisBond cleavageDensity functional theoryRandom forestMaterials scienceChemistryCatalysisComputational chemistryArtificial intelligenceMachine learningComputer scienceOrganic chemistryComposite materialLignin and Wood ChemistryEnzyme-mediated dye degradationCatalysis and Hydrodesulfurization Studies