Ab initio kinetics of OH-initiated reactions of 2-furfuryl alcohol
Lili Xing, Jintao Cui, Liuchao Lian, Jinglan Wang, Huanhuan Wang, Yunrui He, Shaowei Wang, Xuetao Wang, Liyou Xu, Zhanjun Cheng, Xuetao Wang, Liyou Xu, Zhanjun Cheng
Topics & Concepts
FuranFurfuryl alcoholChemistryCombustionReaction rate constantRadicalKineticsAtmospheric temperature rangeComputational chemistryPhysical chemistryThermodynamicsKinetic energyAb initioReaction mechanismQuantum chemistryActivation energyChemical kineticsOrganic chemistryCatalysisPhysicsQuantum mechanicsCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsThermochemical Biomass Conversion Processes