Structural characterization and pyrolysis mechanism of γ-O-4 in lignin unraveled by density functional theory simulation
Kexin Chen, Yuxuan Zhang, Bin Chen, Bin Chen
Topics & Concepts
Density functional theoryCharacterization (materials science)LigninPyrolysisMechanism (biology)ChemistryComputational chemistryReaction mechanismMaterials scienceOrganic chemistryNanotechnologyCatalysisPhysicsQuantum mechanicsLignin and Wood ChemistryThermochemical Biomass Conversion ProcessesDyeing and Modifying Textile Fibers