Jover Modrego, JesúsMaseras Cuní, Feliu2019-10-212019-10-2120160081-5993https://hdl.handle.net/2445/142604The application of QM/MM methods to the study of the reaction mechanisms involved in chemo-, regio-, and enantio- selective processes has been a very productive area of research in the last two decades. This review summarizes basic general ideas in both QM/MM methods and the computational study of selectivity and presents selected results on the study of three of the most representative examples of these applications: rhodium-catalyzed hydrogenation, rhodium-catalyzed hydroformylation, and copper-catalyzed cyclopropanation.21 p.application/pdfeng(c) Springer Verlag, 2016CatàlisiHidrogenacióHidroformilacióCatalysisHydrogenationHydroformylationinfo:eu-repo/semantics/article6673772019-10-21info:eu-repo/semantics/openAccess