Toward full ab initio modeling of soot formation in a nanoreactor
Qingzhao Chu, Chenguang Wang, Dongping Chen
Topics & Concepts
SootNanoreactorRadicalAb initioChemical physicsCombustionMaterials scienceMolecular dynamicsAb initio quantum chemistry methodsChemistryComputational chemistryNanotechnologyPhysical chemistryNanoparticleOrganic chemistryMoleculeAdvanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions