Per‐Ola Norrby

Research interests

Publications

• On the use of real-world datasets for reaction yield prediction

  Chemical Science · 2023 · 10.1039/d2sc06041h

• Organic reactivity from mechanism to machine learning

  Nature Reviews Chemistry · 2021 · https://doi.org/10.1038/s41570-021-00260-x

• Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies

  Chemical Science · 2020 · https://doi.org/10.1039/d0sc04896h

• Computational prediction of chemical reactions: current status and outlook

  Drug Discovery Today · 2018 · https://doi.org/10.1016/j.drudis.2018.02.014

• Rapid virtual screening of enantioselective catalysts using CatVS

  Nature Catalysis · 2018 · 10.1038/s41929-018-0193-3

• Mechanism, Reactivity, and Selectivity in Palladium-Catalyzed Redox-Relay Heck Arylations of Alkenyl Alcohols

  Journal of the American Chemical Society · 2014 · https://doi.org/10.1021/ja4109616

• Pyranoside Phosphite–Oxazoline Ligands for the Highly Versatile and Enantioselective Ir-Catalyzed Hydrogenation of Minimally Functionalized Olefins. A Combined Theoretical and Experimental Study

  Journal of the American Chemical Society · 2011 · https://doi.org/10.1021/ja204948k

• Mild and Efficient Nickel-Catalyzed Heck Reactions with Electron-Rich Olefins

  Journal of the American Chemical Society · 2011 · https://doi.org/10.1021/ja2084509

• α‐Arylation by Rearrangement: On the Reaction of Enolates with Diaryliodonium Salts

  Chemistry - A European Journal · 2010 · 10.1002/chem.201001110

• Copper‐Catalyzed Cross‐Couplings with Part‐per‐Million Catalyst Loadings

  Angewandte Chemie International Edition · 2009 · https://doi.org/10.1002/anie.200902236

• Structure-Based Rationale for Selectivity in the Asymmetric Allylic Alkylation of Cycloalkenyl Esters Employing the Trost ‘Standard Ligand’ (TSL): Isolation, Analysis and Alkylation of the Monomeric form of the Cationic η 3 -Cyclohexenyl Complex [(η 3 - c -C 6 H 9 )Pd(TSL)] +

  Journal of the American Chemical Society · 2009 · https://doi.org/10.1021/ja8099757

• Mechanistic Investigation of Iron‐Catalyzed Coupling Reactions

  ChemCatChem · 2009 · 10.1002/cctc.200900061

• Steric Influence on the Excited-State Lifetimes of Ruthenium Complexes with Bipyridyl−Alkanylene−Pyridyl Ligands

  Inorganic Chemistry · 2008 · 10.1021/ic7019457

• The Mechanism for the Rhodium-Catalyzed Decarbonylation of Aldehydes: A Combined Experimental and Theoretical Study

  Journal of the American Chemical Society · 2008 · https://doi.org/10.1021/ja710270j

• Oxidative Addition of Aryl Chlorides to Monoligated Palladium(0): A DFT-SCRF Study

  Organometallics · 2007 · https://doi.org/10.1021/om0604932

• Theoretical Evidence for Low-Ligated Palladium(0): [Pd−L] as the Active Species in Oxidative Addition Reactions

  Organometallics · 2006 · https://doi.org/10.1021/om060126q

• Heck Coupling with Nonactivated Alkenyl Tosylates and Phosphates: Examples of Effective 1,2‐Migrations of the Alkenyl Palladium(II) Intermediates

  Angewandte Chemie International Edition · 2006 · https://doi.org/10.1002/anie.200600442

• A DFT Study of R−X Bond Dissociation Enthalpies of Relevance to the Initiation Process of Atom Transfer Radical Polymerization

  Macromolecules · 2003 · https://doi.org/10.1021/ma0351672

• Mechanistic Studies of Copper-Catalyzed Alkene Aziridination

  Journal of the American Chemical Society · 2000 · https://doi.org/10.1021/ja993246g

• Conformational energy penalties of protein-bound ligands

  Journal of Computer-Aided Molecular Design · 1998 · https://doi.org/10.1023/a:1008007507641

• Toward an Understanding of the High Enantioselectivity in the Osmium-Catalyzed Asymmetric Dihydroxylation. 4. Electronic Effects in Amine-Accelerated Osmylations

  Journal of the American Chemical Society · 1997 · 10.1021/ja961464t

• A comparison of conformational energies calculated by several molecular mechanics methods

  Journal of Computational Chemistry · 1996 · 10.1002/(sici)1096-987x(199603)17:4<429::aid-jcc5>3.0.co;2-w

Current projects

No projects listed.