How formaldehyde affects the thermo-oxidative and photo-oxidative mechanism of polypropylene: A DFT/TD-DFT study
Xiangze Meng, Rui Yang
Topics & Concepts
Density functional theoryPhotochemistryChemistryPhotoexcitationFormaldehydeMoleculeRadicalHOMO/LUMOComputational chemistryPhysical chemistryMaterials scienceOrganic chemistryAtomic physicsExcited statePhysicsPolymer crystallization and propertiesPolymer Science and PVCPolymer Nanocomposites and Properties