• Journal articles
• Book chapters
• Other

Per-Ola Norrby publications

For citation metrics, including current h-index, see: ResearcherID

Publications in international, refereed journals

• "Transmetalation versus β-Hydride Elimination: The Role of 1,4-Benzoquinone in Chelation-Controlled Arylations using Arylboronic Acids"
  Christian Sköld, Jonatan Kleimark, Alejandro Trejos, Luke R. Odell, Sten O. Nilsson Lill, Per-Ola Norrby, and Mats Larhed, Chem. Eur. J. 2012, 18, 4714-4722.
• "A computational study of the enantioselective addition of n-BuLi to benzaldehyde in the presence of a chiral lithium N,P amide"
  Petra Rönnholm, Jürgen Gräfenstein, Per-Ola Norrby, Göran Hilmersson, and Sten O. Nilsson Lill, Org. Biomol. Chem. 2012, 10, 2807-2814.
• "Low Temperature Studies of Iron Catalyzed Cross Coupling of Alkyl Grignard with Aryl Electrophiles"
  Jonatan Kleimark, Per-Fredrik Larsson, Parisa Emamy, Anna Hedström, and Per-Ola Norrby, Adv. Synth. Catal. 2012, 354, 448-456
• "t-Bu or not t-Bu?"
  Sten O. Nilsson Lill, Per Ryberg, Tobias Rein, Evelina Bennström, and Per-Ola Norrby, Chem. Eur. J. 2012, 18, 1640-1649
• "Mild and Efficient Nickel-Catalyzed Heck Reactions with Electron-Rich Olefins"
  Thomas M. Gøgsig, Jonatan Kleimark, Sten O. Nilsson Lill, Signe Korsager, Anders T. Lindhardt, Per-Ola Norrby, and Troels Skrydstrup J. Am. Chem. Soc. 2012, 134, 443-452
• "Palladium-catalyzed allylic sulfinylation and the Mislow-Braverman-Evans rearrangement"
  Jonatan Kleimark, Guillaume Prestat, Giovanni Poli, and Per-Ola Norrby, Chem. Eur. J. 2011, 17, 13963-13965
• Hot Paper: "Dispersion and Back-Donation Gives Tetracoordinate [Pd(PPh₃)₄]"
  Mårten S. G. Ahlquist and Per-Ola Norrby, Angew. Chem. Int. Ed. 2011, 50, 11794-11797
• "A highly selective agonist for the metabotropic glutamate receptor mGluR2"
  Simon D. Nielsen, Marica Fulco, Michaela Serpi, Birgitte Nielsen, Maria B. Hansen, Kasper L. Hansen, Christian Thomsen, Robb Brodbeck, Hans Bräuner-Osborne, Roberto Pellicciari, Per-Ola Norrby, Jeremy R. Greenwood, and Rasmus P. Clausen, Med. Chem. Commun. 2011, 2, 1120-1124
• "A DFT comparison of the neutral and cationic Heck pathways"
  Carina Bäcktorp and Per-Ola Norrby, Dalton Trans. 2011, 40, 11308-11314
• Open Access: "Iron-Catalyzed Coupling of Aryl Grignard Reagents with Alkyl Halides: A Competitive Hammett Study"
  Anna Hedström, Ulla Bollmann, Jenny Bravidor, and Per-Ola Norrby, Chem. Eur. J. 2011, 17, 11991-11993
• "Experimental and Theoretical Investigations of the Autoxidation of Geranial: A Dioxolane Hydroperoxide Identified as a Skin Sensitizer"
  Lina Hagvall, Carina Bäcktorp, Per-Ola Norrby, Ann-Therese Karlberg, and Anna Börje, Chem. Res. Toxicol. 2011, 24, 1507-1515
• "Pyranoside Phosphite-Oxazoline Ligands for the Highly Versatile and Enantioselective Ir-Catalyzed Hydrogenation of Minimally Functionalized Olefins. A Combined Theoretical and Experimental Study"
  Javier Mazuela, Per-Ola Norrby, Pher G. Andersson, Oscar Pàmies, and Montserrat Diéguez, J. Am. Chem. Soc. 2011, 133, 13634-13645
• "Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation"
  Jonatan Kleimark, Charlotte Johansson, Susanne Olsson, Mikael Håkansson, Sverker Hansson, Björn Åkermark, and Per-Ola Norrby, Organometallics 2011, 30, 230-238
• "γ- and δ-Lactams through Palladium-Catalyzed Intramolecular Allylic Alkylation: Enantioselective Synthesis, NMR Investigation, and DFT Rationalization"
  Xavier Bantreil, Guillaume Prestat, Aitor Moreno, David Madec, Peter Fristrup, Per-Ola Norrby, Paul S. Pregosin, and Giovanni Poli, Chem. Eur. J. 2011, 17, 2885-2896
• "Kinetic Investigation of a Ligand-Accelerated Sub-mol% Copper-Catalyzed C-N Cross-Coupling Reaction"
  Per-Fredrik Larsson, Carsten Bolm, and Per-Ola Norrby, Chem. Eur. J. 2010, 16, 13613-13616
• "Application of Q2MM to Stereoselective Reactions"
  Sten O. Nilsson Lill, Aaron Forbes, Patrick Donoghue, Vincenzo Verdolino, Olaf Wiest, Patrik Rydberg, and Per-Ola Norrby, Curr. Org. Chem. 2010, 14, 1629-1645

• "DFT investigation of the palladium-catalyzed ene-yne coupling"
  Signe T. Henriksen, David Tanner, Troels Skrydstrup, and Per-Ola Norrby, Chem. Eur. J. 2010, 31, 9494-9501
• "Memory and dynamics in Pd-catalyzed allylic alkylation with P,N-ligands"
  Charlotte Johansson, Guy C. Lloyd-Jones, and Per-Ola Norrby, Tetrahedron: Asymm. 2010, 21, 1585-1592
• "Trans effects in the Heck reaction - A model study"
  Carina Bäcktorp and Per-Ola Norrby, J. Mol. Catal. A: Chem. 2010, 328, 108-113
• "α-Arylation by Rearrangement: On the Reaction of Enolates with Diaryliodonium Salts"
  Per-Ola Norrby, Tue B. Petersen, Marcin Bielawski, and Berit Olofsson, Chem. Eur. J. 2010, 16, 8251-8254
• "On the mechanism of the rhodium catalyzed acrylamide hydrogenation"
  Vincenzo Verdolino, Aaron Forbes, Paul Helquist, Per-Ola Norrby, and Olaf Wiest, J. Mol. Catal. A 2010, 324, 9-14
• "Interrogation of a Dynamic Multi-catalyst Ensemble in Asymmetric Catalysis"
  Julian Eastoe, Ian J. S. Fairlamb, Jesús M. Fernández-Hernández, Emane Filali, John C. Jeffery, Guy C. Lloyd-Jones, Aina Martorell, Antony Meadowcroft, Per-Ola Norrby, Thomas Riis-Johannessen, David A. Sale, and Paula M. Tomlin, Faraday Discuss. 2010, 145, 27-47
• "DFT-Based Explanation of the Effect of Simple Anionic Ligands on the Regioselectivity of the Heck Arylation of Acrolein Acetals"
  Signe T. Henriksen, David Tanner, Sandro Cacchi, and Per-Ola Norrby, Organometallics 2009, 28, 6201-6205
• "Mechanistic Investigation of Iron-Catalyzed Coupling Reactions"
  Jonatan Kleimark, Anna Hedström, Per-Fredrik Larsson, Charlotte Johansson, and Per-Ola Norrby, ChemCatChem 2009, 1, 152-161
• Frontside cover
  "A 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 η³-Cyclohexenyl Complex [(η³-c-C₆H₉)Pd(TSL)]⁺"
  Craig Butts, Emane Filali, Guy Lloyd-Jones, Per-Ola Norrby, David Sale, and York Schramm, J. Am. Chem. Soc. 2009, 131, 9945-9957
• "Copper-Catalyzed Cross-Couplings with Part-per-Million Catalyst Loadings"
  Per-Fredrik Larsson, Arkaitz Correa, Monica Carril, Per-Ola Norrby, and Carsten Bolm, Angew. Chem. Int. Ed. 2009, 48, 5691-5693
• "Prediction of Enantioselectivity in Rhodium Catalyzed Hydrogenations"
  Patrick J. Donoghue, Paul Helquist, Per-Ola Norrby, and Olaf Wiest, J. Am. Chem. Soc. 2009, 131, 410-411
• "On the Nature of the Intermediates and the Role of Chloride Ions in Pd-Catalyzed Allylic Alkylations: Added Insight from Density Functional Theory"
  Peter Fristrup, Mårten Ahlquist, David Tanner, and Per-Ola Norrby, J. Phys. Chem. 2008, 112, 12862-12867
• "Asymmetric Synthesis of Iridoid Derivatives Using Resolved 2-Phenylindoline as a Chiral Auxiliary"
  Ellen M. Santangelo, Ilme Liblikas, Anoma Mudalige, Karl W. Törnroos, Per-Ola Norrby, and C. Rikard Unelius, Eur. J. Org. Chem. 2008, 5915-5921
• "Mechanisms of Air Oxidation of Ethoxylated Surfactants - Computational Estimations of Energies and Reaction Behaviors"
  Carina Bäcktorp, Anna Börje, J. Lars. G. Nilsson, Ann-Therese Karlberg, Per-Ola Norrby, and Gunnar Nyman, Chem. Eur. J. 2008, 14, 9549-9554
• "Development of a Q2MM Force Field for the Asymmetric Rhodium Catalyzed Hydrogenation of Enamides"
  Patrick J. Donoghue, Paul Helquist, Per-Ola Norrby, and Olaf Wiest, J. Chem. Theory Comput. 2008, 4, 1313-1323
• "A Combined Experimental and Theoretical Study of the Mechanism and Enantioselectivity of the Palladium-Catalyzed Intermolecular Heck Coupling"
  Signe T. Henriksen, Per-Ola Norrby, Päivi Kaukoranta, and Pher G. Andersson, J. Am. Chem. Soc. 2008, 130, 10414-10421
• "Unusual selectivity-determining factors in the phosphine-free Heck arylation of allyl ethers"
  Ilaria Ambrogio, Giancarlo Fabrizi, Sandro Cacchi, Signe T. Henriksen, Peter Fristrup, David Tanner, and Per-Ola Norrby, Organometallics 2008, 27, 3187-3195
• "Steric Influence on the Excited State Lifetimes of Ruthenium Complexes with Bipyridyl-Alkanylene-Pyridyl Ligands"
  Maria Abrahamsson, Maria J. Lundqvist, Henriette Wolpher, Olof Johansson, Lars Eriksson, Jonas Bergquist, Torben Rasmussen, Hans-Christian Becker, Leif Hammarström, Per-Ola Norrby, Björn Åkermark, and Petter Persson, Inorg. Chem. 2008, 47, 3540-3548
• "Acid-Catalyzed Nucleophilic Aromatic Substitution; Experimental and Theoretical Exploration of a Multi-step Mechanism"
  Mårten Jacobsson, Jonas Oxgaard, Carl-Olof Abrahamsson, Per-Ola Norrby, William A. Goddard, III, and Ulf Ellervik, Chem. Eur. J. 2008, 14, 3954-3960
• "The Mechanism for the Rhodium-Catalyzed Decarbonylation of Aldehydes: A Combined Experimental and Theoretical Study"
  Peter Fristrup, Michael Kreis, Anders Palmelund, Per-Ola Norrby, and Robert Madsen, J. Am. Chem. Soc. 2008, 130, 5206-5215
• "Transition-State Docking of Flunitrazepam and Progesterone in Cytochrome P450"
  Patrik Rydberg, Sine Myrup Hansen, Jacob Kongsted, Per-Ola Norrby, Lars Olsen, and Ulf Ryde, J. Chem. Theory Comput. 2008, 4, 673-681
• "Mechanism of Air Oxidation of the Fragrance Terpene Geraniol"
  Carina Bäcktorp, Lina Hagvall, Anna Börje, Ann-Therese Karlberg, Per-Ola Norrby, and Gunnar Nyman, J. Chem. Theory Comput. 2008, 4, 101-106
• "Memory Effects in Palladium-Catalyzed Allylic Alkylations of 2-Cyclohexen-1-yl Acetate"
  Nina Svensen, Peter Fristrup, David Tanner, and Per-Ola Norrby, Adv. Synth. Catal. 2007, 349, 2631-2640
• "General Transition-State Force Field for Cytochrome P450 Hydroxylation"
  Patrik Rydberg, Lars Olsen, Per-Ola Norrby, and Ulf Ryde, J. Chem. Theory Comput. 2007, 3, 1765-1773
• "Oxidative Addition of Aryl Chlorides to Monoligated Palladium(0) - A DFT-SCRF Study"
  Mårten Ahlquist and Per-Ola Norrby, Organometallics 2007, 26, 550-553
• "Steric effects in release of amides from linkers in solid-phase synthesis. Molecular mechanics modeling of key step in peptide and combinatorial chemistry"
  Per-Ola Norrby and Knud J. Jensen, Int. J. Pept. Res. Ther. 2006, 12, 335-339
• "An Intramolecular Heck Reaction that Prefers a 5-endo to a 6-exo-trig Cyclization Pathway"
  Paulo Vital, Per-Ola Norrby, and David Tanner, Synlett. 2006, 3140-3144
• "The Mechanism of the Phosphine Free Palladium Catalyzed Hydroarylation of Alkynes"
  Mårten Ahlquist, Giancarlo Fabrizi, Sandro Cacchi, and Per-Ola Norrby, J. Am. Chem. Soc. 2006, 128, 12785-12793
• "Direct Determination of Absolute Configuration of Methyl-Substituted Phenyloxiranes: A Combined Experimental and Theoretical Approach"
  Peter Fristrup, Peter R. Lassen, Christian Johannessen, David Tanner, Per-Ola Norrby, K. J. Jalkanen, and Lars Hemmingsen, J. Phys. Chem. A 2006, 110, 9123-9129
• "Deconvoluting the memory effect in Pd-catalyzed allylic alkylation; effect of leaving group and added chloride"
  Peter Fristrup, Thomas Jensen, Jakob Hoppe, and Per-Ola Norrby, Chem. Eur. J. 2006, 12, 5352-5360
• "Modulation of the Reactivity, Stability and Substrate- and Enantioselectivity of an Epoxidation Catalyst by Noncovalent Dynamic Attachment of a Receptor Functionality - Aspects on the Mechanism of the Jacobsen-Katsuki Epoxidation Applied to a Supramolecular System"
  Stefán Jónsson, Fabrice G. J. Odille, Per-Ola Norrby, and Kenneth Wärnmark, Org. Biomol. Chem. 2006, 4, 1927-1948
• Hot Paper: "Heck Coupling with Nonactivated Alkenyl Tosylates and Phosphates. Examples of Effective 1,2-Migrations of the Alkenyl Palladium(II) Intermediates"
  Anders L. Hansen, Jean-Philippe Ebran, Mårten Ahlquist, Per-Ola Norrby, and Troels Skrydstrup, Angew. Chem. Int. Ed. 2006, 45, 3349-3353
• "Combining Q2MM Modeling and Kinetic Studies for Refinement of the Osmium-catalyzed Asymmetric Dihydroxylation (AD) Mnemonic"
  Peter Fristrup, Gitte Holm Jensen, Marie Louise Nygaard Andersen, David Tanner, and Per-Ola Norrby, J. Organomet. Chem. 2006, 691, 2182-2198
• "Theoretical evidence for low-ligated palladium(0): [Pd-L] as the active species in oxidative addition reactions"
  Mårten Ahlquist, Peter Fristrup, David Tanner, and Per-Ola Norrby, Organometallics 2006, 25, 2066-2073
• "Regioselectivity in Lithiation of 1-Methylpyrazole: Experimental, Density Functional Theory and Multinuclear NMR Study"
  Thomas Balle, Mikael Begtrup, Jerzy W. Jaroszewski, Tommy Liljefors, and Per-Ola Norrby, Org. Biomol. Chem. 2006, 4, 1261-1267
• "An Experimental and Theoretical Study of the Mechanism of Stannylcupration of α,β-Acetylenic Ketones and Esters"
  Mårten Ahlquist, Thomas E. Nielsen, Sebastian Le Quement, David Tanner, and Per-Ola Norrby, Chem. Eur. J. 2006, 12, 2866-2873
• "Divergence En Route to Non-Classical Annonaceous Acetogenins. Synthesis of Pyranicin and Pyragonicin"
  Daniel Strand, Per-Ola Norrby, and Tobias Rein, J. Org. Chem. 2006, 71, 1879-1891
• "On the Performance of Continuum Solvation Models for the Solvation Energy of Small Anions"
  Mårten Ahlquist, Sebastian Kozuch, Sason Shaik, David Tanner, and Per-Ola Norrby, Organometallics 2006, 25, 45-47
• "Nonradical Zinc-Barbier Reaction for Diastereoselective Synthesis of Vicinal Amino Alcohols"
  Lise Keinicke, Peter Fristrup, Per-Ola Norrby, and Robert Madsen, J. Am. Chem. Soc. 2005, 127, 15756-15761
• "Design and Synthesis of a New Type of Ferrocene Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis"
  Jimmi Gerner Seitzberg, Carsten Dissing, Inger Søtofte, Per-Ola Norrby, and Mogens Johannsen, J. Org. Chem. 2005, 70, 8332-8337.
  See also: Addition/Correction J. Org. Chem. 2005, 70, 10890
• "Probing Competitive Enantioselective Approach Vectors Operating in the Jacobsen-Katsuki Epoxidation: A Kinetic Study of Methyl-substituted Styrenes"
  Peter Fristrup, Brian B. Dideriksen, David Tanner, and Per-Ola Norrby, J. Am. Chem. Soc. 2005, 127, 13672-13679
• "Palladium(0) alkyne complexes as active species: A DFT-investigation"
  Mårten Ahlquist, Giancarlo Fabrizi, Sandro Cacchi, and Per-Ola Norrby, Chem. Commun. 2005, 4196-4198
• "Chiral diamine-silver(I)-alkene complexes: a quantum chemical and NMR study"
  Elsa Kieken, Olaf Wiest, Paul Helquist, Maria E. Cucciolito, Germana Flores, Aldo Vitagliano, and Per-Ola Norrby, Organometallics 2005, 24, 3737-3745
• "Me₂Zn mediated addition of acetylenes to aldehydes and ketones"
  Pier Giorgio Cozzi, Jens Rudolph, Carsten Bolm, Per-Ola Norrby, and Claudia Tomasini, J. Org. Chem. 2005, 70, 5733-5736
• "A New Strategy for Improvement of Photophysical Properties in Ruthenium(II) Polypyridyl Complexes. Synthesis, Photophysical and Electrochemical Characterisation of Six Mononuclear Ruthenium(II) Bisterpyridine Type Complexes"
  Maria Abrahamsson, Henriette Wolpher, Olof Johansson, Jan Larsson, Mikael Kritikos, Lars Eriksson, Per-Ola Norrby, Jonas Bergquist, Licheng Sun, Björn Åkermark, and Leif Hammarström, Inorg. Chem. 2005, 44, 3215-3225
• "Surprisingly Mild Enolate-Counterion-Free Pd(0)-Catalyzed Intramolecular Allylic Alkylations"
  David Madec, Guillaume Prestat, Elisabetta Martini, Peter Fristrup, Giovanni Poli, and Per-Ola Norrby, Org. Lett. 2005, 7, 995-998
• "New insights into the stereoselectivity of the aryl zinc addition to aldehydes"
  Jens Rudolph, Carsten Bolm, and Per-Ola Norrby, J. Am. Chem. Soc. 2005, 127, 1548-1552
• "A Dynamic Supramolecular System Exhibiting Substrate Selectivity in the Catalytic Epoxidation of Olefins"
  Stefán Jónsson, Fabrice G. J. Odille, Per-Ola Norrby, and Kenneth Wärnmark, Chem. Commun. 2005, 549-551.

• "Reactivity and Regioselectivity in the Heck Reaction - A Hammett Study of 4-Substituted Styrenes"
  Peter Fristrup, Sebastian Le Quement, David Tanner, and Per-Ola Norrby, Organometallics 2004, 23, 6160-6165
• "Structure Investigation of Ti(IV)BODOLates Involved in the Catalytic Asymmetric Reduction of Ketones Using Catecholborane"
  Ian Sarvary, Per-Ola Norrby, and Torbjörn Frejd, Chem. Eur. J. 2004, 10, 182-189
• "A DFT exploration of the enantioselective rearrangement of cyclohexene oxide to cyclohexenol"
  Peter Brandt, Per-Ola Norrby, and Pher G. Andersson, Tetrahedron 2003, 59, 9695-9700
• "A DFT Study of R-X Bond Dissociation Enthalpies of Relevance to the Initiation Process of Atom Transfer Radical Polymerization"
  Malcolm B. Gillies, Krysztof Matyjaszewski, Per-Ola Norrby, Rinaldo Poli, and Philippe Richard, Macromolecules 2003, 36, 8551-8559.

• "Phenyl versus Ethyl Transfer in the Addition of Organozincs to Aldehydes: A Theoretical Study"
  Jens Rudolph, Torben Rasmussen, Carsten Bolm, and Per-Ola Norrby, Angew. Chem. 2003, 115, 3110-3113; Angew. Chem. Int. Ed. 2003, 42, 3002-3005
• "Diastereoselective Addition of α-Metalated Sulfoxides to Imines Revisited: Mechanism, Computational Studies, and the Effect of External Chiral Ligands"
  Brian Pedersen, Tobias Rein, Inger Søtofte, Per-Ola Norrby, and David Tanner, Collect. Czech. Chem. Commun. 2003, 68, 885-898
• "Modeling the Stereoselectivity of the β-Amino Alcohol Promoted Addition of Dialkylzinc to Aldehydes"
  Torben Rasmussen and Per-Ola Norrby, J. Am. Chem. Soc. 2003, 125, 5130-5138
• "Rationalizing Ring-Size Selectivity in Intramolecular Pd-Catalyzed Allylations of Resonance-Stabilized Carbanions"
  Per-Ola Norrby, Mary M. Mader, Maxime Vitale, Guillaume Prestat, and Giovanni Poli, Organometallics 2003, 22, 1849-1855
• "Updating the asymmetric osmium-catalyzed dihydroxylation (AD) mnemonic. Q2MM modeling and new kinetic measurements"
  Peter Fristrup, David Tanner, and Per-Ola Norrby, Chirality 2003, 15, 360-368
• "Experimental and quantum-mechanical investigation of the vinylsilane-iminium ion cyclization"
  Lisbet Kværnø, Per-Ola Norrby, and David Tanner, Org. Biomol. Chem. 2003, 1, 1041-1048
• "Transition States from Empirical Force Fields"
  Frank Jensen and Per-Ola Norrby, Theor. Chem. Acc. 2003, 109, 1-7
• "An Unprecedented [2+3] Cycloadditive Dimerization of a Transient Thiocarbonyl S-Ylide"
  Ibrahim El-Sayed, Rita Grønbæk Hazell, Jørgen Øgaard Madsen, Per-Ola Norrby, and Alexander Senning, Eur. J. Org. Chem. 2003, 813-815 Correction: Eur. J. Org. Chem. 2005, 457
• "Computational Investigation of the Role of Fluoride in Tamao Oxidations"
  Mary M. Mader and Per-Ola Norrby, Chem. Eur. J. 2002, 8, 5043-5048
• "Quantum Chemical Calculations on the Peterson Olefination with α-Silyl Ester Enolates"
  Malcolm B. Gillies, Janne E. Tønder, David Tanner, and Per-Ola Norrby, J. Org. Chem. 2002, 67, 7378-7388
• "Investigation of the Metal Binding Site in Methionine Aminopeptidase by Density Functional Theory"
  Anne Techau Jørgensen, Per-Ola Norrby, and Tommy Liljefors, J. Comp.-Aid. Mol. Des. 2002, 16, 167-179
• "Chromium-Salen-Mediated Alkene Epoxidation: A Theoretical and Experimental Study Indicates the Importance of Spin-Surface Crossing and the Presence of a Discrete Intermediate"
  Peter Brandt, Per-Ola Norrby, Adrian M. Daly, and Declan G. Gilheany, Chem. Eur. J. 2002, 8, 4299-4307
• "S-Adenosylmethionine Conformations in Solution and in Protein Complexes: Conformational Influences of the Sulfonium Group"
  George D. Markham, Per-Ola Norrby, and Charles W. Bock, Biochemistry 2002, 41, 7636-7646
• "Experimental Evidence for Multiple Oxidation Pathways in the Mn(Salen) Catalyzed Epoxidation of Alkenes"
  Christian Linde, Nordine Koliai, Per-Ola Norrby, and Björn Åkermark, Chem. Eur. J. 2002, 8, 2568-2573
• "On the Mechanism of the Copper-catalyzed Cyclopropanation Reaction"
  Torben Rasmussen, Jakob F. Jensen, Niels Østergaard, David Tanner, Tom Ziegler, and Per-Ola Norrby, Chem. Eur. J. 2002, 8, 177-184
• "Enantioconvergent Synthesis by Sequential Asymmetric Horner-Wadsworth-Emmons and Palladium-Catalyzed Allylic Substitution Reactions"
  Torben M. Pedersen, E. Louise Hansen, John Kane, Tobias Rein, Paul Helquist, Per-Ola Norrby, and David Tanner, J. Am. Chem. Soc. 2001, 123, 9738-9742
• "Molecular Modeling of Bifunctional Chelate Peptide Conjugates. 1. Copper and Indium Parameters for the AMBER Force Field"
  David E. Reichert, Per-Ola Norrby, and Michael J. Welch, Inorg. Chem. 2001, 40, 5223-5230
• "Conformational Analysis of Indole Alkaloids Corynantheine and Dihydrocorynantheine by Dynamic ¹H NMR Spectroscopy and Computational Methods: Steric Effects of Ethyl vs Vinyl Group"
  Dan Stærk, Per-Ola Norrby, and Jerzy W. Jaroszewski, J. Org. Chem. 2001, 66, 2217-2221
• "Characterization of New Six-Membered Transition States of the Amino-Alcohol Promoted Addition of Dialkyl Zinc to Aldehydes"
  Torben Rasmussen and Per-Ola Norrby, J. Am. Chem. Soc. 2001, 123, 2464-2465
• "An NMR and ab Initio Quantum Chemical Study of Acid-Base Equilibria for Conformationally Constrained Acidic α-Amino Acids in Aqueous Solution"
  Peter Aadal Nielsen, Jerzy W. Jaroszewski, Per-Ola Norrby, and Tommy Liljefors, J. Am. Chem. Soc. 2001, 123, 2003-2006
• "Quantum Chemical Investigation of Mechanisms of Silane Oxidation"
  Mary M. Mader and Per-Ola Norrby, J. Am. Chem. Soc. 2001, 123, 1970-1976
• "Deriving Force Field Parameters for Coordination Complexes"
  Per-Ola Norrby and Peter Brandt, Coord. Chem. Rev. 2001, 212, 79-109
• "Unprecedented Migration of N-Alkoxycarbonyl Groups in Protected Pyroglutaminol"
  Lennart Bunch, Per-Ola Norrby, Karla Frydenvang, Povl Krogsgaard-Larsen, and Ulf Madsen, Org. Lett. 2001, 3, 433-435
• "Theoretical Investigation of Steric and Electronic Effects in Coenzyme B₁₂ Models"
  Kasper P. Jensen, Stephan P. A. Sauer, Tommy Liljefors, and Per-Ola Norrby, Organometallics 2001, 20, 550-556
• "Chiral Recognition Among Trisdiimine-Metal Complexes, 7. Racemic Compound Formation versus Conglomerate Formation with [M(bpy)₃](PF₆)₂ (M = Ni, Zn, Ru); Lattice Energy Minimisations and Implications for Structure Prediction"
  Josef Breu, Holger Domel, and Per-Ola Norrby, Eur. J. Inorg. Chem. 2000, 2409-2419
• "Mechanistic Studies of Copper-Catalyzed Alkene Aziridination"
  Peter Brandt, Mikael J. Södergren, Pher G. Andersson, and Per-Ola Norrby, J. Am. Chem. Soc. 2000, 122, 8013-8020
• "Selectivity in asymmetric synthesis from QM-guided molecular mechanics"
  Per-Ola Norrby, J. Mol. Struct. (Theochem) 2000, 506, 9-16
• "Quantum Mechanical Conformational Analysis of β-Alanine Zwitterion in Aqueous Solution"
  Peter Aadal Nielsen, Per-Ola Norrby, Tommy Liljefors, Nadia Rega, and Vincenzo Barone, J. Am. Chem. Soc. 2000, 122, 3151-3155
• "Selectivity and Reactivity in Asymmetric Allylic Alkylation"
  Christina Moberg, Ulf Bremberg, Kristina Hallman, Mats Svensson, Per-Ola Norrby, Anders Hallberg, Mats Larhed, and Ingeborg Csöregh, Pure Appl. Chem. 1999, 71, 1477-1483
• "Rationalizing the Stereoselectivity of Osmium Tetroxide Asymmetric Dihydroxylations with Transition State Modeling Using Quantum Mechanics-Guided Molecular Mechanics"
  Per-Ola Norrby, Torben Rasmussen, Jan Haller, Thomas Strassner, and K. N. Houk, J. Am. Chem. Soc. 1999, 121, 10186-10192
• "Molecular Mechanics (MM3*) Force Field Parameters for Calculations on Palladium Olefin Complexes with Phosphorus Ligands"
  Helena Hagelin, Mats Svensson, Björn Åkermark, and Per-Ola Norrby, Organometallics 1999, 18, 4574-4583
• "Rationalization of Product Selectivities in Asymmetric Horner-Wadsworth-Emmons Reactions by Use of a New Method for Transition-State Modeling"
  Per-Ola Norrby, Peter Brandt, and Tobias Rein, J. Org. Chem. 1999, 64, 5845-5852
• "Asymmetric Horner-Wadsworth-Emmons reactions with meso-dialdehydes: Scope, mechanism, and synthetic applications"
  Tobias Rein, Lauri Vares, Ikuo Kawasaki, Torben M. Pedersen, Per-Ola Norrby, Peter Brandt, and David Tanner, Phosphorus Sulfur and Silicon and the related elements 1999, 146, 169-172
• "New Molecular Mechanics (MM3*) Force Field Parameters for Calculations on (η³-Allyl)palladium Complexes with Nitrogen and Phosphorus Ligands"
  Helena Hagelin, Björn Åkermark, and Per-Ola Norrby, Organometallics 1999, 18, 2884-2895
• "Timing Is Critical: Effect of Spin Changes on the Diastereoselectivity in Mn(salen)-Catalyzed Epoxidation"
  Christian Linde, Björn Åkermark, Per-Ola Norrby, and Mats Svensson, J. Am. Chem. Soc. 1999, 121, 5083-5084
• "Strong Decrease of the Benzene-Ammonium Ion Interaction upon Complexation with a Carboxylate Anion"
  Per-Ola Norrby and Tommy Liljefors, J. Am. Chem. Soc. 1999, 121, 2303-2306
• "A Solvated Transition State for the Nucleophilic Attack on Cationic η³-Allylpalladium Complexes"
  Helena Hagelin, Björn Åkermark, and Per-Ola Norrby, Chem. Eur. J. 1999, 5, 902-909
• "Reagent Control of Geometric Selectivity and Enantiotopic Group Preference in Asymmetric Horner-Wadsworth-Emmons Reactions with meso-Dialdehydes"
  Joshua S. Tullis, Lauri Vares, Nina Kann, Per-Ola Norrby, and Tobias Rein, J. Org. Chem. 1998, 63, 8284-8294
• "Conformational Energy Penalties of Protein-Bound Ligands"
  Jonas Boström, Per-Ola Norrby, and Tommy Liljefors, J. Comp.-Aid. Mol. Des. 1998, 12, 383-396
• "Molecular Mechanics (MM3*) Parameters for Ruthenium(II) Pyridyl complexes"
  Peter Brandt, Thomas Norrby, Björn Åkermark, and Per-Ola Norrby, Inorg. Chem. 1998, 37, 4120-4127
• "A Bis(Crown-Ether) Analogue of Tröger's Base: Recognition of Achiral and Chiral Primary Bisammonium Salts"
  Anna P. Hansson, Per-Ola Norrby, and Kenneth Wärnmark, Tetrahedron Letters 1998, 39, 4565-4568
• "Automated Molecular Mechanics Parameterization with Simultaneous Utilization of Experimental and Quantum Chemical Data"
  Per-Ola Norrby and Tommy Liljefors, J. Comput. Chem. 1998, 19, 1146-1166
• "A Quantum Chemical Exploration of the Horner-Wadsworth-Emmons Reaction"
  Peter Brandt, Per-Ola Norrby, Ivar Martin, and Tobias Rein, J. Org. Chem. 1998, 63, 1280-1289
• "Structural characteristics of isoxazol-3-ol and isothiazol-3-ol, carboxy group bioisosteres examined by X-ray crystallography and ab initio calculations"
  Karla Frydenvang, Lisa Matzen, Jerzy W. Jaroszewski, Per-Ola Norrby, Tommy Liljefors, and Povl Krogsgaard-Larsen, J. Chem. Soc., Perkin Trans. 2 1997, 1783-1791
• "Structural Features of Muscimol, a Potent GABA_A Receptor Agonist, Crystal Structure and Quantum Chemical Ab Initio Calculations"
  Lotte Brehm, Karla Frydenvang, Lene Merete Hansen, Per-Ola Norrby, Povl Krogsgaard-Larsen, and Tommy Liljefors, Structural Chemistry 1997, 8, 443-451
• "Is There a Radical Intermediate in the Jacobsen-Katsuki Epoxidation of Alkenes?"
  Christian Linde, Moritz Arnold, Per-Ola Norrby, and Björn Åkermark, Angew. Chem. 1997, 109, 1802-1803; Angew. Chem., Int. Ed. Engl. 1997, 36, 1723-1725
• "High yield preparation of 4'-(4-bromophenyl)-2,2':6',2"-terpyridine by a condensation reaction. Determination of the stereochemistry of two complex byproducts by a combination of molecular mechanics and NMR"
  Peter Korall, Anna Börje, Per-Ola Norrby, and Björn Åkermark, Acta Chem. Scand. 1997, 51, 760-766
• "Steric Influences on the Selectivity in Palladium-Catalyzed Allylation"
  Johan D. Oslob, Björn Åkermark, Paul Helquist, and Per-Ola Norrby, Organometallics 1997, 16, 3015-3021
• "The Theoretical Basis of the Isoinversion Principle"
  Andreas Gypser and Per-Ola Norrby, J. Chem. Soc., Perkin Trans. 2 1997, 939-943
• "Molybdenum-Catalyzed Allylic Substitution. Influence of 1,10-Phenanthroline Ligands on Reactivity and Selectivity"
  Magnus P. T. Sjögren, Håkan Frisell, Björn Åkermark, Per-Ola Norrby, Lars Eriksson, and Aldo Vitagliano, Organometallics 1997, 16, 942-950
• "Toward an Understanding of the High Enantioselectivity in the Osmium-Catalyzed Asymmetric Dihydroxylation. 4. Electronic Effects in Amine-Accelerated Osmylations"
  Derek W. Nelson, K. Barry Sharpless, Andreas Gypser, Pui-Tong Ho, Hartmuth C. Kolb, Teruyuki Kondo, Hoi-Lun Kwong, Dominic V. McGrath, A. Erik Rubin, Per-Ola Norrby, and Kevin P. Gable, J. Am. Chem. Soc. 1997, 119, 1840-1858
• "An ab initio study of the trimethylamine - formic acid and the trimethylammonium ion - formate anion complexes, their monohydrates and their interactions with a dielectric continuum "
  Tommy Liljefors and Per-Ola Norrby, J. Am. Chem. Soc. 1997, 119, 1052-1058
• "Molecular Mechanics Predictions and Experimental Testing of Asymmetric Palladium-Catalyzed Allylation Reactions Using New Chiral Phenanthroline Ligands"
  Eduardo Peña-Cabrera, Per-Ola Norrby, Magnus P. T. Sjögren, Aldo Vitagliano, Vincenzo deFelice, Johan D. Oslob, Shingo Ishii, Björn Åkermark, and Paul Helquist, J. Am. Chem. Soc. 1996, 118, 4299-4313
• "Conformational Preference of 2-(Halomethyl)- and 2-(Oxomethyl)pyridines. Microwave Spectrum, Ab Initio and MM3 Studies of 2-(Fluoromethyl)pyridine"
  Christina Moberg, Hans Adolfsson, Kenneth Wärnmark, Per-Ola Norrby, Karl-Magnus Marstokk, and Harald Møllendal, Chem. Eur. J. 1996, 2, 516-522
• "A Comparison of Conformational Energies Calculated by Several Molecular Mechanics Methods"
  Klaus Gundertofte, Tommy Liljefors, Per-Ola Norrby, and Ingrid Pettersson, J. Comput. Chem. 1996, 17, 429-449
• "Kinetic Constraints on Possible Reaction Pathways for the Osmium Catalyzed Asymmetric Dihydroxylation (AD)"
  Per-Ola Norrby and Kevin P. Gable, J. Chem. Soc., Perkin Trans. 2 1996, 171-178
• "Toward an Understanding of the High Enantioselectivity in the Osmium Catalyzed Asymmetric Dihydroxylation (AD). Part 3. New Insights into Isomeric Forms of the Putative Osmaoxetane Intermediate"
  Per-Ola Norrby, Heinrich Becker, and K. Barry Sharpless, J. Am. Chem. Soc 1996, 118, 35-42
• "A Detailed Study of the (η³-Cyclohexenyl)Palladium Systems"
  Jeffrey T. Martin, Johan D. Oslob, Björn Åkermark, and Per-Ola Norrby, Acta Chem. Scand. 1995, 49, 888-893
• "On the Chirality Transfer in the Epoxidation of Alkenes Catalyzed by Manganese(salen) Complexes"
  Per-Ola Norrby, Christian Linde, and Björn Åkermark, J. Am. Chem. Soc. 1995, 117, 11035-11036
• "Conformations of (η³-Cyclohexenyl)Palladium Systems. A Molecular Mechanics (MM2) Study"
  Björn Åkermark, Johan D. Oslob, and Per-Ola Norrby, Organometallics 1995, 14, 1688-1693
• "Studies of Allylic Substitution Catalyzed by a Palladium Complex of a C2-Symmetric Bis(aziridine). Preparation and NMR Spectroscopic Investigation of a Chiral π-Allyl Species"
  Pher G. Andersson, Adrian Harden, David Tanner, and Per-Ola Norrby, Chem. Eur. J. 1995, 1, 12-16
• "Unusual Conformational Determining Interactions in Oxymethylpyridines. An Ab Initio Study and an Improved Method for Refining Molecular Mechanics Parameters"
  Per-Ola Norrby, Kenneth Wärnmark, Björn Åkermark, and Christina Moberg, J. Comput. Chem. 1995, 16, 620-627
• "Comparing Two Models for the Selectivity in the Asymmetric Dihydroxylation Reaction (AD)."
  Heinrich Becker, Pui-Tong Ho, Hartmuth C. Kolb, Stefan Loren, Per-Ola Norrby, and K. Barry Sharpless, Tetrahedron Letters 1994, 35(40), 7315-7318
• "Towards an Understanding of the High Enantioselectivity in the Osmium Catalyzed Asymmetric Dihydroxylation (AD). 2. A Qualitative Molecular Mechanics Approach"
  Per-Ola Norrby, Hartmuth C. Kolb, and K. Barry Sharpless, J. Am. Chem. Soc. 1994, 116, 8470-8478
• "Calculations on the Reaction of Ruthenium Tetroxide with Olefins Using Density Functional Theory (DFT). Implications for the Possibility of Intermediates in the Osmium-Catalyzed Asymmetric Dihydroxylation (AD)"
  Per-Ola Norrby, Hartmuth C. Kolb, and K. Barry Sharpless, Organometallics 1994, 13, 344-347
• "Effects of Phenanthroline Type Ligands on the Dynamic Processes of (η³-Allyl) palladium Complexes. Molecular Structure of (2,9-Dimethyl-1,10-phenanthroline)[(1,2,3-η)-3-methyl-2-butenyl]chloropalladium"
  Sverker Hansson, Per-Ola Norrby, Magnus P. T. Sjögren, Björn Åkermark, Maria Elena Cucciolito, Federico Giordani, and Aldo Vitagliano, Organometallics 1993, 12, 4940-4948
• "Molecular Mechanics (MM2) Parameters for the η³-Allyl Palladium Moiety"
  Per-Ola Norrby, Björn Åkermark, Fredrik Hæffner, Sverker Hansson, and Margareta Blomberg, J. Am. Chem. Soc. 1993, 115, 4859-4867
• "Calculation of NMR Observables from Computed Conformers as a Tool of Structure Verification. Conformation of the Stereochemistry of trans-Methyl 2,3-dimethyl-5-methoxy-2-cyclohexene-1-carboxylate"
  Jeffrey T. Martin, Per-Ola Norrby, and Björn Åkermark, J. Org. Chem. 1993, 58, 1400-1406
• "Selective Stabilization of the Anti Isomer of (η³-Allyl)palladium and -platinum Complexes"
  Magnus Sjögren, Sverker Hansson, Per-Ola Norrby, Björn Åkermark, Maria Elena Cucciolito, and Aldo Vitagliano, Organometallics 1992, 11, 3954-3964
• "Alkylation with Oxalic Esters. Scope and Mechanism"
  Jan Bergman, Per-Ola Norrby, and Peter Sand, Tetrahedron 1990, 46, 6113-6124
• "Structure Elucidation of Some Products Obtained by Acid-Catalyzed Condensation of Indole with Acetone"
  Jan Bergman, Per-Ola Norrby, Ulf Tilstam, and Lennart Venemalm, Tetrahedron 1989, 45, 5549-5564

Book chapters

• "Modeling in Homogeneous Catalysis: a Tutorial"
  Eric Clot and Per-Ola Norrby, in Innovative Catalysis in Organic Synthesis: Oxidation, Hydrogenation, and C-X Bond Forming Reactions, Ed: P. Andersson, Wiley-VCH, 2012, 167-191
• "Computational Insights into Palladium-Mediated Allylic Substitution Reactions"
  Jonatan Kleimark and Per-Ola Norrby, in Transition Metal Catalyzed Enantioselective Allylic Substitution in Organic Synthesis, Ed: U. Kazmaier; Top. Organomet. Chem. 2012, 38, 65-94
• "Molecular Mechanics and Comparison of Force Fields"
  Tommy Liljefors, Klaus Gundertofte, Per-Ola Norrby, and Ingrid Pettersson, in Computational Medicinal Chemistry for Drug Discovery, Eds: P. Bultinck, J. P. Tollenaere, H. De Winter, and W. Langenaeker; Marcel Dekker: New York, 2004, 1-28
• "Recipe for an organometallic force field"
  Per-Ola Norrby, in Computational Organometallic Chemistry, Ed: T. Cundari; Marcel Dekker: New York, 2001, 7-37
• "Stabilization of the ammonium-carboxylate ion-pair by an aromatic ring"
  Tommy Liljefors and Per-Ola Norrby, in Molecular Modeling and Prediction of Bioactivity, Eds: K. Gundertofte and F.S. Jørgensen; Kluwer Academic/Plenum Publishers: New York, 2000, 367-368
• "Differences in agonist binding pattern for the GABA_A and the AMPA receptors illustrated by high level ab initio calculations"
  Lena Tagmose, Lene Merete Hansen, Per-Ola Norrby, and Tommy Liljefors, in Molecular Modeling and Prediction of Bioactivity, Eds: K. Gundertofte and F.S. Jørgensen; Kluwer Academic/Plenum Publishers: New York, 2000, 365-366
• "Molecular Mechanics as a Predictive Tool in Asymmetric Catalysis"
  Per-Ola Norrby, Chapter 13 in Transition State Modeling for Catalysis, Eds: D. G. Truhlar and K. Morokuma; ACS Symposium Series 721, American Chemical Society: Washington, DC, 1999, 163-172
• "Conformational Energies of Protein-bound Ligands"
  Tommy Liljefors, Jonas Boström, and Per-Ola Norrby, in Rational Molecular Design in Drug Research, Eds: T. Liljefors, F.S. Jørgensen, and P. Krogsgaard-Larsen; Alfred Benson Symposium 42, Munksgaard: Copenhagen, 1998, 246-258
• "Ab initio quantum chemical model calculations of the interactions between monoamine neurotransmitters and their receptors"
  Tommy Liljefors and Per- Ola Norrby, in Structure and Function of 7TM Receptors, Eds: T.W. Schwartz, S.A. Hjort, and J.S. Kastrup; Alfred Benson Symposium 39, Munksgaard: Copenhagen, 1996, 194-204

Other publications

• Editorial, special issue on Computational Catalysis
  Per-Ola Norrby and Guy C. Lloyd-Jones, J. Mol. Catal. A 2010, 324, 1-2
• "Nobelprisen i kemi 2001"
  Per-Ola Norrby and David Tanner, Dansk Kemi 2001, 82 (12), p. 6
• "Regn med vand!"
  Tommy Liljefors, Per-Ola Norrby, Jonas Boström, and Peter Aadal Nielsen, Lægemiddelforskning 1998, 36-37
• "Calculated and Experimental Reactivity of Pyrazoles"
  Thomas Balle, Mikael Begtrup, Tommy Liljefors, and Per-Ola Norrby, Supercomputing Annual Report 1995-1997, UNI-C, Copenhagen, Denmark, 1997, 52-54
• "Fremtidige lægemiddelstoffer designes på computern"
  Tommy Liljefors and Per-Ola Norrby, Lægemiddelforskning 1994, 28-29
• "Development of Molecular Mechanics for Use in (η³-Allyl) Palladium Chemistry"
  Per-Ola Norrby, Ph.D. Thesis, KTH, 1992