Computational Modeling of Homogeneous Catalysis

ComputationalModellingofHomogeneousCatalysisisanextensivecollectionofrecentresultsonawidearrayofcatalyticprocesses.Thechaptersare,inmostcases,authoredbytheresearcherswhohaveperformedthecalculations.Thebookillustratestheimportanceofcomputationalmodellinginhomogeneouscatalysisbyprovidingup-to-datereviewsofitsapplicationtoavarietyofreactionsofindustrialinterest,including:-olefinpolymerization;-hydrogenation;-alkene/alkyneisomerization;-hydroformylation;-hydroboration;hydrosylation;-dihydroxylation;-benzannulation;-epoxidation;-N-Ntriplebondactivation.Thisbookfacilitatesunderstandingbyexperimentalchemistsinthefieldonwhathasalreadybeenaccomplishedandwhatcanbeexpectedfromcalculationsinthenearfuture.Inaddition,thebookprovidescomputationalchemistswithafirst-handknowledgeonthestateoftheartinthisexcitingfield.,