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Per-Ola Norrby, Ph.D. - Publications

Affiliations: 
1994-2000 Royal Danish School of Pharmacy 
 2000-2006 Technical University of Denmark, Kongens Lyngby, Denmark 
 2006-2014 University of Gothenburg, Gothenburg, Västra Götalands län, Sweden 
 2014- AstraZeneca Gothenburg, Sweden 
Area:
molecular modeling, homogeneous catalysis, reaction mechanisms
Website:
http://www2.chem.gu.se/~pon/index.html

214 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Quinn TR, Steussy CN, Haines BE, Lei J, Wang W, Sheong FK, Stauffacher CV, Huang X, Norrby PO, Helquist P, Wiest O. Microsecond timescale MD simulations at the transition state of HMGR predict remote allosteric residues. Chemical Science. 12: 6413-6418. PMID 34084441 DOI: 10.1039/d1sc00102g  1
2021 Lidskog A, Dawaigher S, Solano Arribas C, Ryberg A, Jensen J, Bergquist KE, Sundin A, Norrby PO, Wärnmark K. Experimental and Computational Models for Side Chain Discrimination in Peptide-Protein Interactions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33908678 DOI: 10.1002/chem.202100890  1
2021 Wahlers J, Maloney M, Salahi F, Rosales AR, Helquist P, Norrby PO, Wiest O. Stereoselectivity Predictions for the Pd-Catalyzed 1,4-Conjugate Addition Using Quantum-Guided Molecular Mechanics. The Journal of Organic Chemistry. PMID 33769065 DOI: 10.1021/acs.joc.1c00136  1
2020 Rosales A, Ross SP, Helquist P, Norrby PO, Sigman MS, Wiest O. Transition State Force Field for the Asymmetric Redox Relay Heck Reaction. Journal of the American Chemical Society. PMID 32249569 DOI: 10.1021/Jacs.0C01979  1
2020 Paterson AJ, Dunås P, Rahm M, Norrby PO, Kociok-Köhn G, Lewis SE, Kann N. Palladium Catalyzed Stereoselective Arylation of Biocatalytically Derived Cyclic 1,3-Dienes: Chirality Transfer via a Heck-Type Mechanism. Organic Letters. PMID 32150420 DOI: 10.1021/Acs.Orglett.0C00708  1
2020 Lam Y, Abramov Y, Ananthula RS, Elward JM, Hilden LR, Lill SON, Norrby P, Ramirez A, Sherer EC, Mustakis J, Tanoury GJ. Applications of Quantum Chemistry in Pharmaceutical Process Development: Current State and Opportunities Organic Process Research & Development. 24: 1496-1507. DOI: 10.1021/Acs.Oprd.0C00222  1
2019 Toldo J, El Bakouri O, Solà M, Norrby PO, Ottosson H. Is Excited-State Aromaticity a Driving Force for Planarization of Dibenzannelated 8π-Electron Heterocycles? Chempluschem. 84: 712-721. PMID 31944021 DOI: 10.1002/Cplu.201900066  0.01
2019 Tomberg A, Muratore MÉ, Johansson MJ, Terstiege I, Sköld C, Norrby PO. Relative Strength of Common Directing Groups in Palladium-Catalyzed Aromatic C-H Activation. Iscience. 20: 373-391. PMID 31614320 DOI: 10.1016/J.Isci.2019.09.035  1
2019 Norrby PO. Holistic models of reaction selectivity. Nature. 571: 332-333. PMID 31316192 DOI: 10.1038/D41586-019-02148-9  0.01
2019 Biosca M, Saltó J, Magre M, Norrby P, Pàmies O, Diéguez M. An Improved Class of Phosphite-Oxazoline Ligands for Pd-Catalyzed Allylic Substitution Reactions Acs Catalysis. 9: 6033-6048. DOI: 10.1021/Acscatal.9B01166  1
2018 González Miera G, Bermejo López A, Martínez-Castro E, Norrby PO, Martín-Matute B. Nonclassical Mechanism in the Cyclodehydration of Diols Catalyzed by a Bifunctional Iridium Complex. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30475410 DOI: 10.1002/Chem.201805460  1
2018 Tomberg A, Johansson MJ, Norrby PO. A Predictive Tool for Electrophilic Aromatic Substitutions Using Machine Learning. The Journal of Organic Chemistry. PMID 30336024 DOI: 10.1021/Acs.Joc.8B02270  1
2018 Rosales AR, Quinn TR, Wahlers J, Tomberg A, Zhang X, Helquist P, Wiest O, Norrby PO. Application of Q2MM to predictions in stereoselective synthesis. Chemical Communications (Cambridge, England). PMID 29971313 DOI: 10.1039/C8Cc03695K  1
2018 Ludvigsson JW, Wikström H, Andersson T, Norrby PO. Degradation caused by incompatibility between sodium stearyl fumarate (PRUV) and AZD7986 in the drug product. Journal of Pharmaceutical and Biomedical Analysis. 158: 82-87. PMID 29860182 DOI: 10.1016/J.Jpba.2018.05.036  0.04
2018 De Scheerder L, Sparén A, Nilsson GA, Norrby PO, Örnskov E. Designing flexible low-viscous sieving media for capillary electrophoresis analysis of ribonucleic acids. Journal of Chromatography. A. PMID 29843943 DOI: 10.1016/J.Chroma.2018.05.048  0.01
2018 Engkvist O, Norrby PO, Selmi N, Lam YH, Peng Z, Sherer EC, Amberg W, Erhard T, Smyth LA. Computational prediction of chemical reactions: current status and outlook. Drug Discovery Today. PMID 29510217 DOI: 10.1016/J.Drudis.2018.02.014  0.04
2017 Stridfeldt E, Lindstedt E, Reitti M, Blid J, Norrby PO, Olofsson B. Competing Pathways in O-Arylations with Diaryliodonium Salts - Mechanistic Insights. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28792102 DOI: 10.1002/Chem.201703057  1
2017 Santilli C, Beigbaghlou SS, Ahlburg A, Antonacci G, Fristrup P, Norrby P, Madsen R. The Manganese‐Catalyzed Cross‐Coupling Reaction and the Influence of Trace Metals European Journal of Organic Chemistry. 2017: 5269-5274. DOI: 10.1002/Ejoc.201701005  1
2017 Antonacci G, Ahlburg A, Fristrup P, Norrby P, Madsen R. Manganese-Catalyzed Cross-Coupling of Aryl Halides and Grignard Reagents by a Radical Mechanism European Journal of Organic Chemistry. 2017: 4758-4764. DOI: 10.1002/Ejoc.201700981  1
2016 Lee JM, Zhang X, Norrby PO, Helquist P, Wiest O. Stereoselectivity in (Acyloxy)borane-Catalyzed Mukaiyama Aldol Reactions. The Journal of Organic Chemistry. PMID 27247023 DOI: 10.1021/Acs.Joc.6B00594  1
2016 Hansen E, Lime E, Norrby PO, Wiest O. Anomeric Effects in Sulfamides. The Journal of Physical Chemistry. A. PMID 27135551 DOI: 10.1021/Acs.Jpca.6B02757  1
2016 Hansen E, Rosales AR, Tutkowski B, Norrby PO, Wiest O. Prediction of Stereochemistry using Q2MM. Accounts of Chemical Research. PMID 27064579 DOI: 10.1021/Acs.Accounts.6B00037  1
2016 Stålsmeden AS, Vázquez JLB, Weerdenburg Kv, Rae R, Norrby P, Kann N. Glycerol Upgrading via Hydrogen Borrowing: Direct Ruthenium-Catalyzed Amination of the Glycerol Derivative Solketal Acs Sustainable Chemistry & Engineering. 4: 5730-5736. DOI: 10.1021/Acssuschemeng.6B01659  1
2016 Bellini R, Magre M, Biosca M, Norrby PO, Pàmies O, Diéguez M, Moberg C. Conformational Preferences of a Tropos Biphenyl Phosphinooxazoline-a Ligand with Wide Substrate Scope Acs Catalysis. 6: 1701-1712. DOI: 10.1021/Acscatal.5B02766  1
2016 Margalef J, Coll M, Norrby P, Pàmies O, Diéguez M. Asymmetric Catalyzed Allylic Substitution Using a Pd/P–S Catalyst Library with Exceptional High Substrate and Nucleophile Versatility: DFT and Pd-π-allyl Key Intermediates Studies Organometallics. 35: 3335. DOI: 10.1021/Acs.Organomet.6B00547  1
2016 Savela R, Grénman H, Sundelin H, Norrby PO, Yu. Murzin D, Leino R. Kinetic and Theoretical Investigation of Iron(III)-Catalyzed Silane Chlorination Chemcatchem. 8: 584-592. DOI: 10.1002/Cctc.201500974  1
2015 Racys DT, Eastoe J, Norrby PO, Grillo I, Rogers SE, Lloyd-Jones GC. Pd- η(3) -C6H9 complexes of the Trost modular ligand: high nuclearity columnar aggregation controlled by concentration, solvent and counterion. Chemical Science. 6: 5793-5801. PMID 28791087 DOI: 10.1039/C5Sc01181G  1
2015 Grigalunas M, Norrby PO, Wiest O, Helquist P. Single-Flask Multicomponent Palladium-Catalyzed α,γ-Coupling of Ketone Enolates: Facile Preparation of Complex Carbon Scaffolds. Angewandte Chemie (International Ed. in English). 54: 11822-5. PMID 26276904 DOI: 10.1002/Anie.201505895  1
2015 Grigalunas M, Ankner T, Norrby PO, Wiest O, Helquist P. Ni-Catalyzed Alkenylation of Ketone Enolates under Mild Conditions: Catalyst Identification and Optimization. Journal of the American Chemical Society. 137: 7019-22. PMID 26024472 DOI: 10.1021/Jacs.5B02945  1
2015 Hedström A, Izakian Z, Vreto I, Wallentin CJ, Norrby PO. On the radical nature of iron-catalyzed cross-coupling reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 5946-53. PMID 25703202 DOI: 10.1002/Chem.201406096  1
2015 Bekhradnia A, Norrby PO. New insights into the mechanism of iron-catalyzed cross-coupling reactions. Dalton Transactions (Cambridge, England : 2003). 44: 3959-62. PMID 25649755 DOI: 10.1039/C4Dt03491K  1
2015 Limé E, Norrby PO. Improving the Q2MM method for transition state force field modeling. Journal of Computational Chemistry. 36: 244-50. PMID 25430788 DOI: 10.1002/Jcc.23797  1
2015 Racys DT, Eastoe J, Norrby PO, Grillo I, Rogers SE, Lloyd-Jones GC. Pd- η3-C6H9 complexes of the Trost modular ligand: High nuclearity columnar aggregation controlled by concentration, solvent and counterion Chemical Science. 6: 5793-5801. DOI: 10.1039/c5sc01181g  1
2015 Bartoszewicz A, González Miera G, Marcos R, Norrby PO, Mart?n-Matute B. Mechanistic studies on the alkylation of amines with alcohols catalyzed by a bifunctional iridium complex Acs Catalysis. 5: 3704-3716. DOI: 10.1021/Acscatal.5B00645  1
2015 Magre M, Biosca M, Norrby PO, Pàmies O, Diéguez M. Theoretical and Experimental Optimization of a New Amino Phosphite Ligand Library for Asymmetric Palladium-Catalyzed Allylic Substitution Chemcatchem. 7: 4091-4107. DOI: 10.1002/Cctc.201500873  1
2014 Limé E, Lundholm MD, Forbes A, Wiest O, Helquist P, Norrby PO. Stereoselectivity in Asymmetric Catalysis: The Case of Ruthenium-Catalyzed Ketone Hydrogenation. Journal of Chemical Theory and Computation. 10: 2427-35. PMID 26580763 DOI: 10.1021/Ct500178W  1
2014 Sunesson Y, Limé E, Nilsson Lill SO, Meadows RE, Norrby PO. Role of the base in Buchwald-Hartwig amination. The Journal of Organic Chemistry. 79: 11961-9. PMID 25340530 DOI: 10.1021/Jo501817M  1
2014 Delaine T, Ponting DJ, Niklasson IB, Emter R, Hagvall L, Norrby PO, Natsch A, Luthman K, Karlberg AT. Epoxyalcohols: bioactivation and conjugation required for skin sensitization. Chemical Research in Toxicology. 27: 1860-70. PMID 25195701 DOI: 10.1021/Tx500297D  1
2014 Hilton MJ, Xu LP, Norrby PO, Wu YD, Wiest O, Sigman MS. Investigating the nature of palladium chain-walking in the enantioselective redox-relay Heck reaction of alkenyl alcohols. The Journal of Organic Chemistry. 79: 11841-50. PMID 25186804 DOI: 10.1021/Jo501813D  1
2014 Grigalunas M, Ankner T, Norrby PO, Wiest O, Helquist P. Palladium-catalyzed alkenylation of ketone enolates under mild conditions. Organic Letters. 16: 3970-3. PMID 25032503 DOI: 10.1021/Ol5017965  1
2014 Kim BS, Hussain MM, Norrby PO, Walsh PJ. Breaking Conjugation: Unusual Regioselectivity with 2-Substituted Allylic Substrates in the Tsuji-Trost Reaction. Chemical Science (Royal Society of Chemistry : 2010). 5: 1241-1250. PMID 24910767 DOI: 10.1039/C3Sc53035C  1
2014 Brink A, Truedsson I, Fleckhaus A, Johnson MT, Norrby PO, Roodt A, Wendt OF. Fast and reversible insertion of carbon dioxide into zirconocene-alkoxide bonds. A mechanistic study. Dalton Transactions (Cambridge, England : 2003). 43: 8894-8. PMID 24796283 DOI: 10.1039/C3Dt53566E  1
2014 Xu L, Hilton MJ, Zhang X, Norrby PO, Wu YD, Sigman MS, Wiest O. Mechanism, reactivity, and selectivity in palladium-catalyzed redox-relay Heck arylations of alkenyl alcohols. Journal of the American Chemical Society. 136: 1960-7. PMID 24410393 DOI: 10.1021/Ja4109616  1
2014 Katcher MH, Norrby PO, Doyle AG. Mechanistic investigations of palladium-catalyzed allylic fluorination Organometallics. 33: 2121-2133. DOI: 10.1021/Om401240P  1
2014 Limé E, Lundholm MD, Forbes A, Wiest O, Helquist P, Norrby PO. Stereoselectivity in asymmetric catalysis: The case of ruthenium-catalyzed ketone hydrogenation Journal of Chemical Theory and Computation. 10: 2427-2435. DOI: 10.1021/ct500178w  1
2014 Larsson PF, Wallentin CJ, Norrby PO. Mechanistic aspects of Submol % copper-catalyzed C-N cross-coupling Chemcatchem. 6: 1277-1282. DOI: 10.1002/Cctc.201301088  1
2014 Larsson PF, Norrby PO, Woodward S. Mechanistic Aspects of Copper-Catalyzed Reactions Copper-Catalyzed Asymmetric Synthesis. 325-352. DOI: 10.1002/9783527664573.ch12  1
2013 Hedström A, Lindstedt E, Norrby PO. On the oxidation state of iron in iron-mediated C-C couplings Journal of Organometallic Chemistry. 748: 51-55. DOI: 10.1016/J.Jorganchem.2013.04.024  1
2012 Larsson PF, Astvik P, Norrby PO. New efficient ligand for sub-mol % copper-catalyzed C-N cross-coupling reactions running under air. Beilstein Journal of Organic Chemistry. 8: 1909-15. PMID 23209530 DOI: 10.3762/Bjoc.8.221  1
2012 Stanton GR, Norrby PO, Carroll PJ, Walsh PJ. Chelation-controlled addition of organozincs to α-chloro aldimines. Journal of the American Chemical Society. 134: 17599-604. PMID 23003333 DOI: 10.1021/Ja306781Z  1
2012 Rönnholm P, Gräfenstein J, Norrby PO, Hilmersson G, Lill SO. A computational study of the enantioselective addition of n-BuLi to benzaldehyde in the presence of a chiral lithium N,P amide. Organic & Biomolecular Chemistry. 10: 2807-14. PMID 22378179 DOI: 10.1039/C2Ob06910E  1
2012 Sköld C, Kleimark J, Trejos A, Odell LR, Nilsson Lill SO, Norrby PO, Larhed M. Transmetallation versus β-hydride elimination: the role of 1,4-benzoquinone in chelation-controlled arylation reactions with arylboronic acids. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 4714-22. PMID 22374849 DOI: 10.1002/Chem.201102678  1
2012 Nilsson Lill SO, Ryberg P, Rein T, Bennström E, Norrby PO. tBu or not tBu? Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 1640-9. PMID 22223125 DOI: 10.1002/Chem.201102674  1
2012 Gøgsig TM, Kleimark J, Lill SO, Korsager S, Lindhardt AT, Norrby PO, Skrydstrup T. Mild and efficient nickel-catalyzed Heck reactions with electron-rich olefins. Journal of the American Chemical Society. 134: 443-52. PMID 22126421 DOI: 10.1021/Ja2084509  1
2012 Reeker H, Norrby PO, Krause N. Mechanistic studies of the CuH-catalyzed synthesis of α- hydroxyallenes Organometallics. 31: 8024-8030. DOI: 10.1021/Om3007129  1
2012 Kleimark J, Norrby PO. Computational insights into palladium-mediated allylic substitution reactions Topics in Organometallic Chemistry. 38: 65-94. DOI: 10.1007/3418_2011_8  1
2012 Rönnholm P, Lill SON, Gräfenstein J, Norrby PO, Pettersson M, Hilmersson G. Aggregation and solvation of chiral N, P-amide ligands in coordinating solvents: A computational and NMR spectroscopic study Chempluschem. 77: 799-806. DOI: 10.1002/Cplu.201200033  1
2012 Kleimark J, Larsson PF, Emamy P, Hedström A, Norrby PO. Low temperature studies of iron-catalyzed cross-coupling of alkyl Grignard reagents with aryl electrophiles Advanced Synthesis and Catalysis. 354: 448-456. DOI: 10.1002/Adsc.201100392  1
2012 Clot E, Norrby PO. Modeling in Homogeneous Catalysis: A Tutorial Innovative Catalysis in Organic Synthesis: Oxidation, Hydrogenation, and C-X Bond Forming Reactions. 167-191. DOI: 10.1002/9783527646586.ch8  1
2011 Kleimark J, Prestat G, Poli G, Norrby PO. Palladium-catalyzed allylic sulfinylation and the Mislow-Braverman-Evans rearrangement. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 13963-5. PMID 22095834 DOI: 10.1002/Chem.201102937  1
2011 Ahlquist MS, Norrby PO. Dispersion and back-donation gives tetracoordinate [Pd(PPh3)4]. Angewandte Chemie (International Ed. in English). 50: 11794-7. PMID 21997976 DOI: 10.1002/Anie.201105928  1
2011 Hedström A, Bollmann U, Bravidor J, Norrby PO. Iron-catalyzed coupling of aryl Grignard reagents with alkyl halides: a competitive Hammett study. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 11991-3. PMID 21922569 DOI: 10.1002/Chem.201100467  1
2011 Hagvall L, Bäcktorp C, Norrby PO, Karlberg AT, Börje A. Experimental and theoretical investigations of the autoxidation of geranial: a dioxolane hydroperoxide identified as a skin sensitizer. Chemical Research in Toxicology. 24: 1507-15. PMID 21823635 DOI: 10.1021/Tx200120Q  1
2011 Mazuela J, Norrby PO, Andersson PG, Pàmies O, Diéguez M. 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. 133: 13634-45. PMID 21761872 DOI: 10.1021/Ja204948K  1
2011 Bäcktorp C, Norrby PO. A DFT comparison of the neutral and cationic Heck pathways. Dalton Transactions (Cambridge, England : 2003). 40: 11308-14. PMID 21738934 DOI: 10.1039/C1Dt10558B  1
2011 Bantreil X, Prestat G, Moreno A, Madec D, Fristrup P, Norrby PO, Pregosin PS, Poli G. γ- and δ-lactams through palladium-catalyzed intramolecular allylic alkylation: enantioselective synthesis, NMR Investigation, and DFT rationalization. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 2885-96. PMID 21294194 DOI: 10.1002/Chem.201001300  1
2011 Nielsen SD, Fulco M, Serpi M, Nielsen B, Hansen MB, Hansen KL, Thomsen C, Brodbeck R, Bräuner-Osborne H, Pellicciari R, Norrby PO, Greenwood JR, Clausen RP. A highly selective agonist for the metabotropic glutamate receptor mGluR2 Medchemcomm. 2: 1120-1124. DOI: 10.1039/C1Md00186H  1
2011 Kleimark J, Johansson C, Olsson S, Håkansson M, Hansson S, Åkermark B, Norrby PO. Sterically governed selectivity in palladium-assisted allylic alkylation Organometallics. 30: 230-238. DOI: 10.1021/Om1007264  1
2010 Larsson PF, Bolm C, Norrby PO. Kinetic investigation of a ligand-accelerated sub-mol% copper-catalyzed C-N cross-coupling reaction. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 13613-6. PMID 21064051 DOI: 10.1002/Chem.201002021  1
2010 Henriksen ST, Tanner D, Skrydstrup T, Norrby PO. DFT investigation of the palladium-catalyzed ene-yne coupling. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 9494-501. PMID 20645355 DOI: 10.1002/Chem.201001158  1
2010 Norrby PO, Petersen TB, Bielawski M, Olofsson B. Alpha-arylation by rearrangement: on the reaction of enolates with diaryliodonium salts. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 8251-4. PMID 20564301 DOI: 10.1002/Chem.201001110  1
2010 Lill SON, Forbes A, Donoghue P, Verdolino V, Wiest O, Rydberg P, Norrby P. Application of Q2MM to Stereoselective Reactions Current Organic Chemistry. 14: 1629-1645. DOI: 10.2174/138527210793563224  1
2010 Eastoe J, Fairlamb IJS, Fernández-Hernández JM, Filali E, Jeffery JC, Lloyd-Jones GC, Martorell A, Meadowcroft A, Norrby PO, Riis-Johannessen T, Sale DA, Tomlin PM. Interrogation of a dynamic multi-catalyst ensemble in asymmetric catalysis Faraday Discussions. 145: 27-47. DOI: 10.1039/B910022A  1
2010 Johansson C, Lloyd-Jones GC, Norrby PO. Memory and dynamics in Pd-catalyzed allylic alkylation with P,N-ligands Tetrahedron Asymmetry. 21: 1585-1592. DOI: 10.1016/J.Tetasy.2010.03.031  1
2010 Bäcktorp C, Norrby PO. Trans effects in the Heck reaction - A model study Journal of Molecular Catalysis a: Chemical. 328: 108-113. DOI: 10.1016/J.Molcata.2010.06.007  1
2010 Norrby PO, Lloyd-Jones GC. Journal of Molecular Catalysis A: Chemical: Editorial Journal of Molecular Catalysis a: Chemical. 324: 1-2. DOI: 10.1016/j.molcata.2010.04.001  1
2010 Verdolino V, Forbes A, Helquist P, Norrby PO, Wiest O. On the mechanism of the rhodium catalyzed acrylamide hydrogenation Journal of Molecular Catalysis a: Chemical. 324: 9-14. DOI: 10.1016/J.Molcata.2010.02.026  1
2010 Nilsson Lill SO, Forbes A, Donoghue P, Verdolino V, Wiest O, Rydberg P, Norrby PO. Application of q2mm to stereoselective reactions Current Organic Chemistry. 14: 1629-1645.  1
2009 Larsson PF, Correa A, Carril M, Norrby PO, Bolm C. Copper-catalyzed cross-couplings with part-per-million catalyst loadings. Angewandte Chemie (International Ed. in English). 48: 5691-3. PMID 19554589 DOI: 10.1002/Anie.200902236  1
2009 Butts CP, Filali E, Lloyd-Jones GC, Norrby PO, Sale DA, Schramm Y. 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 eta(3)-cyclohexenyl complex [(eta(3)-c-C6H9)Pd(TSL)]+. Journal of the American Chemical Society. 131: 9945-57. PMID 19435358 DOI: 10.1021/Ja8099757  1
2009 Donoghue PJ, Helquist P, Norrby PO, Wiest O. Prediction of enantioselectivity in rhodium catalyzed hydrogenations. Journal of the American Chemical Society. 131: 410-1. PMID 19140780 DOI: 10.1021/Ja806246H  1
2009 Larsson P-, Correa A, Carril M, Norrby P-, Bolm C. Ullmann-Type Couplings Using Part-Per-Million Catalyst Loadings Synfacts. 2009: 1142-1142. DOI: 10.1055/S-0029-1217892  1
2009 Henriksen ST, Tanner D, Cacchi S, Norrby PO. DFT-based explanation of the effect of simple anionic ligands on the regioselectivity of the heck arylation of acrolein acetals Organometallics. 28: 6201-6205. DOI: 10.1021/Om900674Y  1
2009 Kleimark J, Hedström A, Larsson PF, Johansson C, Norrby PO. Mechanistic investigation of iron-catalyzed coupling reactions Chemcatchem. 1: 152-161. DOI: 10.1002/Cctc.200900061  1
2008 Donoghue PJ, Helquist P, Norrby PO, Wiest O. Development of a Q2MM Force Field for the Asymmetric Rhodium Catalyzed Hydrogenation of Enamides. Journal of Chemical Theory and Computation. 4: 1313-23. PMID 26631706 DOI: 10.1021/Ct800132A  1
2008 Rydberg P, Hansen SM, Kongsted J, Norrby PO, Olsen L, Ryde U. Transition-State Docking of Flunitrazepam and Progesterone in Cytochrome P450. Journal of Chemical Theory and Computation. 4: 673-81. PMID 26620942 DOI: 10.1021/Ct700313J  1
2008 Bäcktorp C, Hagvall L, Börje A, Karlberg AT, Norrby PO, Nyman G. Mechanism of Air Oxidation of the Fragrance Terpene Geraniol. Journal of Chemical Theory and Computation. 4: 101-6. PMID 26619983 DOI: 10.1021/Ct7001495  1
2008 Bäcktorp C, Börje A, Nilsson JL, Karlberg AT, Norrby PO, Nyman G. Mechanisms of air oxidation of ethoxylated surfactants--computational estimations of energies and reaction behaviors. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 9549-54. PMID 18785678 DOI: 10.1002/Chem.200800545  1
2008 Fristrup P, Ahlquist M, Tanner D, Norrby PO. On the nature of the intermediates and the role of chloride ions in Pd-catalyzed allylic alkylations: added insight from density functional theory. The Journal of Physical Chemistry. A. 112: 12862-7. PMID 18630868 DOI: 10.1021/Jp801759Z  1
2008 Henriksen ST, Norrby PO, Kaukoranta P, Andersson PG. Combined experimental and theoretical study of the mechanism and enantioselectivity of palladium- catalyzed intermolecular Heck coupling. Journal of the American Chemical Society. 130: 10414-21. PMID 18620393 DOI: 10.1021/Ja802991Y  1
2008 Abrahamsson M, Lundqvist MJ, Wolpher H, Johansson O, Eriksson L, Bergquist J, Rasmussen T, Becker HC, Hammarström L, Norrby PO, Akermark B, Persson P. Steric influence on the excited-state lifetimes of ruthenium complexes with bipyridyl-alkanylene-pyridyl ligands. Inorganic Chemistry. 47: 3540-8. PMID 18402440 DOI: 10.1021/Ic7019457  1
2008 Jacobsson M, Oxgaard J, Abrahamsson CO, Norrby PO, Goddard WA, Ellervik U. Acid-catalyzed nucleophilic aromatic substitution: experimental and theoretical exploration of a multistep mechanism. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 3954-60. PMID 18351696 DOI: 10.1002/Chem.200701590  1
2008 Fristrup P, Kreis M, Palmelund A, Norrby PO, Madsen R. The mechanism for the rhodium-catalyzed decarbonylation of aldehydes: a combined experimental and theoretical study. Journal of the American Chemical Society. 130: 5206-15. PMID 18303836 DOI: 10.1021/Ja710270J  1
2008 Ambrogio I, Fabrizi G, Cacchi S, Henriksen ST, Fristrup P, Tanner D, Norrby PO. Unusual selectivity-determining factors in the phosphine-free heck arylation of allyl ethers Organometallics. 27: 3187-3195. DOI: 10.1021/Om800114A  1
2008 Donoghue PJ, Helquist P, Norrby PO, Wiest O. Development of a Q2MM force field for the asymmetric rhodium catalyzed hydrogenation of enamides Journal of Chemical Theory and Computation. 4: 1313-1323. DOI: 10.1021/ct800132a  1
2008 Bäcktorp C, Hagvall L, Börje A, Karlberg AT, Norrby PO, Nyman G. Mechanism of air oxidation of the fragrance terpene geraniol Journal of Chemical Theory and Computation. 4: 101-106. DOI: 10.1021/ct7001495  1
2008 Santangelo EM, Liblikas I, Mudalige A, Törnroos KW, Norrby PO, Unelius CR. Asymmetric synthesis of iridoid derivatives using resolved 2-phenylindoline as a chiral auxiliary European Journal of Organic Chemistry. 5915-5921. DOI: 10.1002/Ejoc.200800440  1
2008 Santangelo EM, Liblikas I, Mudalige A, Törnroos KW, Norrby PO, Unelius CR. Asymmetric synthesis of iridoid derivatives using resolved 2-phenylindoline as a chiral auxiliary European Journal of Organic Chemistry. 5915-5921. DOI: 10.1002/ejoc.200800440  1
2007 Rydberg P, Olsen L, Norrby PO, Ryde U. General Transition-State Force Field for Cytochrome P450 Hydroxylation. Journal of Chemical Theory and Computation. 3: 1765-73. PMID 26627620 DOI: 10.1021/Ct700110F  1
2007 Ahlquist M, Norrby PO. Oxidative addition of aryl chlorides to monoligated palladium(0): A DFT-SCRF study Organometallics. 26: 550-553. DOI: 10.1021/Om0604932  1
2007 Svensen N, Fristrup P, Tanner D, Norrby PO. Memory effects in palladium-catalyzed allylic alkylations of 2-cyclohexen-1-yl acetate Advanced Synthesis and Catalysis. 349: 2631-2640. DOI: 10.1002/Adsc.200700315  1
2006 Ahlquist M, Fabrizi G, Cacchi S, Norrby PO. The mechanism of the phosphine-free palladium-catalyzed hydroarylation of alkynes. Journal of the American Chemical Society. 128: 12785-93. PMID 17002373 DOI: 10.1021/Ja061543X  1
2006 Fristrup P, Lassen PR, Johannessen C, Tanner D, Norrby PO, Jalkanen KJ, Hemmingsen L. Direct determination of absolute configuration of methyl-substituted phenyloxiranes: combined experimental and theoretical approach. The Journal of Physical Chemistry. A. 110: 9123-9. PMID 16854024 DOI: 10.1021/Jp060154M  1
2006 Jónsson S, Odille FG, Norrby PO, Wärnmark K. 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. Organic & Biomolecular Chemistry. 4: 1927-48. PMID 16688339 DOI: 10.1039/B518244A  1
2006 Fristrup P, Jensen T, Hoppe J, Norrby PO. Deconvoluting the memory effect in Pd-catalyzed allylic alkylation: Effect of leaving group and added chloride. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 5352-60. PMID 16637086 DOI: 10.1002/Chem.200600152  1
2006 Hansen AL, Ebran JP, Ahlquist M, Norrby PO, Skrydstrup T. Heck coupling with nonactivated alkenyl tosylates and phosphates: examples of effective 1,2-migrations of the alkenyl palladium(II) intermediates. Angewandte Chemie (International Ed. in English). 45: 3349-53. PMID 16607665 DOI: 10.1002/Anie.200600442  1
2006 Balle T, Begtrup M, Jaroszewski JW, Liljefors T, Norrby PO. Regioselectivity in lithiation of 1-methylpyrazole: experimental, density functional theory and multinuclear NMR study. Organic & Biomolecular Chemistry. 4: 1261-7. PMID 16557314 DOI: 10.1039/B517607G  1
2006 Strand D, Norrby PO, Rein T. Divergence en route to nonclassical annonaceous acetogenins. Synthesis of pyranicin and pyragonicin. The Journal of Organic Chemistry. 71: 1879-91. PMID 16496972 DOI: 10.1021/Jo052233K  1
2006 Ahlquist M, Nielsen TE, Le Quement S, Tanner D, Norrby PO. An experimental and theoretical study of the mechanism of stannylcupration of alpha,beta-acetylenic ketones and esters. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 2866-73. PMID 16425170 DOI: 10.1002/Chem.200501229  1
2006 Vital P, Norrby PO, Tanner D. An intramolecular Heck reaction that prefers a 5-endo- to a 6-exo-trig cyclization pathway Synlett. 3140-3144. DOI: 10.1055/S-2006-951504  1
2006 Strand D, Norrby P-, Rein T. Synthesis of Pyranicin Synfacts. 2006: 754-754. DOI: 10.1055/S-2006-941926  1
2006 Ahlquist M, Fristrup P, Tanner D, Norrby PO. Theoretical evidence for low-ligated palladium(0): [Pd-L] as the active species in oxidative addition reactions Organometallics. 25: 2066-2073. DOI: 10.1021/Om060126Q  1
2006 Ahlquist M, Kozuch S, Shaik S, Tanner D, Norrby PO. On the performance of continuum solvation models for the solvation energy of small anions Organometallics. 25: 45-47. DOI: 10.1021/Om0508278  1
2006 Fristrup P, Jensen GH, Andersen MLN, Tanner D, Norrby PO. Combining Q2MM modeling and kinetic studies for refinement of the osmium-catalyzed asymmetric dihydroxylation (AD) mnemonic Journal of Organometallic Chemistry. 691: 2182-2198. DOI: 10.1016/J.Jorganchem.2005.11.009  1
2006 Norrby PO, Jensen KJ. Steric effects in release of amides from linkers in solid-phase synthesis. Molecular mechanics modeling of key step in peptide and combinatorial chemistry International Journal of Peptide Research and Therapeutics. 12: 335-339. DOI: 10.1007/S10989-006-9036-1  1
2006 Norrby PO, Jensen KJ. Steric effects in release of amides from linkers in solid-phase synthesis. Molecular mechanics modeling of key step in peptide and combinatorial chemistry International Journal of Peptide Research and Therapeutics. 12: 335-339. DOI: 10.1007/s10989-006-9036-1  1
2005 Keinicke L, Fristrup P, Norrby PO, Madsen R. Nonradical zinc-Barbier reaction for diastereoselective synthesis of vicinal amino alcohols. Journal of the American Chemical Society. 127: 15756-61. PMID 16277518 DOI: 10.1021/Ja054706A  1
2005 Seitzberg JG, Dissing C, Søtofte I, Norrby PO, Johannsen M. Design and synthesis of a new type of ferrocene-based planar chiral DMAP analogues. A new catalyst system for asymmetric nucleophilic catalysis. The Journal of Organic Chemistry. 70: 8332-7. PMID 16209575 DOI: 10.1021/Jo050714Y  1
2005 Fristrup P, Dideriksen BB, Tanner D, Norrby PO. Probing competitive enantioselective approach vectors operating in the Jacobsen-Katsuki epoxidation: a kinetic study of methyl-substituted styrenes. Journal of the American Chemical Society. 127: 13672-9. PMID 16190733 DOI: 10.1021/Ja051851F  1
2005 Ahlquist M, Fabrizi G, Cacchi S, Norrby PO. Palladium(0) alkyne complexes as active species: a DFT investigation. Chemical Communications (Cambridge, England). 4196-8. PMID 16100601 DOI: 10.1039/B507784B  1
2005 Cozzi PG, Rudolph J, Bolm C, Norrby PO, Tomasini C. Me2Zn-mediated addition of acetylenes to aldehydes and ketones. The Journal of Organic Chemistry. 70: 5733-6. PMID 15989362 DOI: 10.1021/Jo050115R  1
2005 Abrahamsson M, Wolpher H, Johansson O, Larsson J, Kritikos M, Eriksson L, Norrby PO, Bergquist J, Sun L, Akermark B, Hammarström L. A new strategy for the improvement of photophysical properties in ruthenium(II) polypyridyl complexes. Synthesis and photophysical and electrochemical characterization of six mononuclear ruthenium(II) bisterpyridine-type complexes. Inorganic Chemistry. 44: 3215-25. PMID 15847430 DOI: 10.1021/Ic048247A  1
2005 Madec D, Prestat G, Martini E, Fristrup P, Poli G, Norrby PO. Surprisingly mild "enolate-counterion-free"pd(0)-catalyzed intramolecular allylic alkylations. Organic Letters. 7: 995-8. PMID 15760122 DOI: 10.1002/CHIN.200532121  1
2005 Rudolph J, Bolm C, Norrby PO. New insights into the stereoselectivity of the aryl zinc addition to aldehydes. Journal of the American Chemical Society. 127: 1548-52. PMID 15686388 DOI: 10.1021/Ja046254S  1
2005 Jónsson S, Odille FG, Norrby PO, Wärnmark K. A dynamic supramolecular system exhibiting substrate selectivity in the catalytic epoxidation of olefins. Chemical Communications (Cambridge, England). 549-51. PMID 15654399 DOI: 10.1039/B411978A  1
2005 Kieken E, Wiest O, Helquist P, Cucciolito ME, Flores G, Vitagliano A, Norrby PO. Chiral diamine-silver (I)-alkene complexes: A quantum chemical and NMR study Organometallics. 24: 3737-3745. DOI: 10.1021/Om050275T  1
2005 El-Sayed I, Hazell RG, Madsen JØ, Norrby P, Senning A. An Unprecedented [2+3] Cycloadditive Dimerization of a Transient ThiocarbonylS-Ylide: An Unprecedented [2+3] Cycloadditive Dimerization European Journal of Organic Chemistry. 2005: 457-457. DOI: 10.1002/Ejoc.200400835  1
2004 Sarvary I, Norrby PO, Frejd T. Structure investigation of TiIV-BODOLates involved in the catalytic asymmetric reduction of ketones using catecholborane. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 182-9. PMID 14695563 DOI: 10.1002/Chem.200305202  1
2004 Fristrup P, Quement SL, Tanner D, Norrby PO. Reactivity and regioselectivity in the heck reaction: Hammett study of 4-substituted styrenes Organometallics. 23: 6160-6165. DOI: 10.1021/Om0494521  1
2003 Kvaernø L, Norrby PO, Tanner D. Experimental and quantum-mechanical investigation of the vinylsilane-iminium ion cyclization. Organic & Biomolecular Chemistry. 1: 1041-8. PMID 12929645 DOI: 10.1039/B212333A  1
2003 Rudolph J, Rasmussen T, Bolm C, Norrby PO. Phenyl versus ethyl transfer in the addition of organozinc reagents to aldehydes: a theoretical study. Angewandte Chemie (International Ed. in English). 42: 3002-5. PMID 12851954 DOI: 10.1002/Anie.200351150  1
2003 Rasmussen T, Norrby PO. Modeling the stereoselectivity of the beta-amino alcohol-promoted addition of dialkylzinc to aldehydes. Journal of the American Chemical Society. 125: 5130-8. PMID 12708865 DOI: 10.1021/Ja0292952  1
2003 Fristrup P, Tanner D, Norrby PO. Updating the asymmetric osmium-catalyzed dihydroxylation (AD) mnemonic: Q2MM modeling and new kinetic measurements. Chirality. 15: 360-8. PMID 12666245 DOI: 10.1002/Chir.10214  1
2003 Pedersen B, Rein T, Søtofte I, Norrby PO, Tanner D. Diastereoselective addition of α-metalated sulfoxides to imines revisited: Mechanism, computational studies, and the effect of external chiral ligands Collection of Czechoslovak Chemical Communications. 68: 885-898. DOI: 10.1135/Cccc20030885  1
2003 Norrby PO, Mader MM, Vitale M, Prestat G, Poli G. Rationalizing ring-size selectivity in intramolecular Pd-catalyzed allylations of resonance-stabilized carbanions Organometallics. 22: 1849-1855. DOI: 10.1021/Om030066D  1
2003 Gillies MB, Matyjaszewski K, Norrby PO, Pintauer T, Poli R, Richard P. A DFT study of R-X bond dissociation enthalpies of relevance to the initiation process of atom transfer radical polymerization Macromolecules. 36: 8551-8559. DOI: 10.1021/Ma0351672  1
2003 Gillies MB, Matyjaszewski K, Norrby PO, Pintauer T, Poli R, Richard P. A DFT study of R-X bond dissociation enthalpies of relevance to the initiation process of atom transfer radical polymerization Macromolecules. 36: 8551-8559. DOI: 10.1021/ma0351672  1
2003 Brandt P, Norrby PO, Andersson PG. A DFT exploration of the enantioselective rearrangement of cyclohexene oxide to cyclohexenol Tetrahedron. 59: 9695-9700. DOI: 10.1016/J.Tet.2003.10.013  1
2003 Jensen F, Norrby PO. Transition states from empirical force fields Theoretical Chemistry Accounts. 109: 1-7. DOI: 10.1007/s00214-002-0382-6  1
2003 El-Sayed I, Hazell RG, Madsen J, Norrby PO, Senning A. An unprecedented [2+3] cycloadditive dimerization of a transient thiocarbonyl S-Ylide European Journal of Organic Chemistry. 813-815. DOI: 10.1002/Ejoc.200390123  1
2002 Mader MM, Norrby PO. Computational investigation of the role of fluoride in Tamao oxidations. Chemistry (Weinheim An Der Bergstrasse, Germany). 8: 5043-8. PMID 12489539 DOI: 10.1002/1521-3765(20021104)8:21<5043::Aid-Chem5043>3.0.Co;2-R  1
2002 Gillies MB, Tønder JE, Tanner D, Norrby PO. Quantum chemical calculations on the Peterson olefination with alpha-silyl ester enolates. The Journal of Organic Chemistry. 67: 7378-88. PMID 12375968 DOI: 10.1021/Jo0262107  1
2002 Jørgensen AT, Norrby PO, Liljefors T. Investigation of the metal binding site in methionine aminopeptidase by density functional theory. Journal of Computer-Aided Molecular Design. 16: 167-79. PMID 12363216 DOI: 10.1023/A:1020119527789  1
2002 Brandt P, Norrby PO, Daly AM, Gilheany DG. Chromium-salen-mediated alkene epoxidation: a theoretical and experimental study indicates the importance of spin-surface crossing and the presence of a discrete intermediate. Chemistry (Weinheim An Der Bergstrasse, Germany). 8: 4299-307. PMID 12298022 DOI: 10.1002/1521-3765(20020916)8:18<4299::Aid-Chem4299>3.0.Co;2-B  1
2002 Linde C, Koliaï N, Norrby PO, Akermark B. Experimental evidence for multiple oxidation pathways in the (salen) Mn-catalyzed epoxidation of alkenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 8: 2568-73. PMID 12180336 DOI: 10.1002/1521-3765(20020603)8:11<2568::Aid-Chem2568>3.0.Co;2-Z  1
2002 Markham GD, Norrby PO, Bock CW. S-adenosylmethionine conformations in solution and in protein complexes: conformational influences of the sulfonium group. Biochemistry. 41: 7636-46. PMID 12056895 DOI: 10.1021/Bi025682C  1
2002 Rasmussen T, Jensen JF, Ostergaard N, Tanner D, Ziegler T, Norrby PO. On the mechanism of the copper-catalyzed cyclopropanation reaction. Chemistry (Weinheim An Der Bergstrasse, Germany). 8: 177-84. PMID 11822449 DOI: 10.1002/1521-3765(20020104)8:1<177::Aid-Chem177>3.0.Co;2-H  1
2001 Pedersen TM, Hansen EL, Kane J, Rein T, Helquist P, Norrby PO, Tanner D. Enantioconvergent synthesis by sequential asymmetric Horner-Wadsworth-Emmons and palladium-catalyzed allylic substitution reactions. Journal of the American Chemical Society. 123: 9738-42. PMID 11583534 DOI: 10.1021/Ja005809Q  1
2001 Reichert DE, Norrby PO, Welch MJ. Molecular modeling of bifunctional chelate peptide conjugates. 1. Copper and indium parameters for the AMBER force field. Inorganic Chemistry. 40: 5223-30. PMID 11559086 DOI: 10.1021/Ic0012118  1
2001 Rasmussen T, Norrby PO. Characterization of new six-membered transition states of the amino-alcohol promoted addition of dialkyl zinc to aldehydes. Journal of the American Chemical Society. 123: 2464-5. PMID 11456912 DOI: 10.1021/Ja005841K  1
2001 Nielsen PA, Jaroszewski JW, Norrby PO, Liljefors T. An NMR and ab initio quantum chemical study of acid-base equilibria for conformationally constrained acidic alpha-amino acids in aqueous solution. Journal of the American Chemical Society. 123: 2003-6. PMID 11456822 DOI: 10.1021/Ja002926C  1
2001 Mader MM, Norrby PO. Quantum chemical investigation of mechanisms of silane oxidation. Journal of the American Chemical Society. 123: 1970-6. PMID 11456818 DOI: 10.1021/Ja001400P  1
2001 Bunch L, Norrby PO, Frydenvang K, Krogsgaard-Larsen P, Madsen U. Unprecedented migration of N-alkoxycarbonyl groups in protected pyroglutaminol. Organic Letters. 3: 433-5. PMID 11428032 DOI: 10.1021/Ol0069397  1
2001 Staerk D, Norrby PO, Jaroszewski JW. Conformational analysis of indole alkaloids corynantheine and dihydrocorynantheine by dynamic 1H NMR spectroscopy and computational methods: steric effects of ethyl vs vinyl group. The Journal of Organic Chemistry. 66: 2217-21. PMID 11281758 DOI: 10.1021/Jo000987N  1
2001 Jensen KP, Sauer SPA, Liljefors T, Norrby PO. Theoretical investigation of steric and electronic effects in coenzyme B12 models Organometallics. 20: 550-556. DOI: 10.1021/om000260p  1
2001 Norrby PO, Brandt P. Deriving force field parameters for coordination complexes Coordination Chemistry Reviews. 212: 79-109. DOI: 10.1016/S0010-8545(00)00296-4  1
2000 Brandt P, Södergren MJ, Andersson PG, Norrby PO. Mechanistic studies of copper-catalyzed alkene aziridination Journal of the American Chemical Society. 122: 8013-8020. DOI: 10.1021/ja993246g  1
2000 Nielsen PA, Norrby PO, Liljefors T, Rega N, Barone V. Quantum mechanical conformational analysis of β-alanine zwitterion in aqueous solution Journal of the American Chemical Society. 122: 3151-3155. DOI: 10.1021/Ja992902+  1
2000 Norrby PO. Selectivity in asymmetric synthesis from QM-guided molecular mechanics Journal of Molecular Structure: Theochem. 506: 9-16. DOI: 10.1016/S0166-1280(00)00398-5  1
2000 Breu J, Domel H, Norrby PO. 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 European Journal of Inorganic Chemistry. 2409-2419.  1
1999 Moberg C, Bremberg U, Hallman K, Svensson M, Norrby PO, Hallberg A, Larhed M, Csöregh I. Selectivity and reactivity in asymmetric allylic alkylation Pure and Applied Chemistry. 71: 1477-1483. DOI: 10.1351/Pac199971081477  1
1999 Rein T, Vares L, Kawasaki I, Pedersen TM, Norrby PO, Brandt P, Tanner D. Asymmetric Horner-Wadsworth-Emmons reactions with Meso-dialdehydes: Scope, mechanism, and synthetic applications Phosphorus, Sulfur and Silicon and Related Elements. 144: 169-172. DOI: 10.1080/10426509908546209  1
1999 Hagelin H, Svensson M, Åkermark B, Norrby PO. Molecular Mechanics (MM3*) Force Field Parameters for Calculations on Palladium Olefin Complexes with Phosphorus Ligands Organometallics. 18: 4574-4583. DOI: 10.1021/Om990228Z  1
1999 Hagelin H, Åkermark B, Norrby PO. New molecular mechanics (MM3*) force field parameters for calculations on (η3-allyl)palladium complexes with nitrogen and phosphorus ligands Organometallics. 18: 2884-2895. DOI: 10.1021/Om990153Z  1
1999 Norrby PO, Brandt P, Rein T. Rationalization of product selectivities in asymmetric Horner-Wadsworth- Emmons reactions by use of a new method for transition-state modeling Journal of Organic Chemistry. 64: 5845-5852. DOI: 10.1021/Jo990318D  1
1999 Norrby PO, Rasmussen T, Haller J, Strassner T, Houk KN. Rationalizing the stereoselectivity of osmium tetroxide asymmetric dihydroxylations with transition state modeling using quantum mechanics- guided molecular mechanics Journal of the American Chemical Society. 121: 10186-10192. DOI: 10.1021/Ja992023N  1
1999 Norrby PO, Liljefors T. Strong decrease of the benzene-ammonium ion interaction upon complexation with a carboxylate anion Journal of the American Chemical Society. 121: 2303-2306. DOI: 10.1021/Ja984076V  1
1999 Linde C, Åkermark B, Norrby PO, Svensson M. Timing is critical: Effect of spin changes on the diastereoselectivity in Mn(salen)-catalyzed epoxidation Journal of the American Chemical Society. 121: 5083-5084. DOI: 10.1021/Ja9809915  1
1999 Hagelin H, Åkermark B, Norrby PO. A solvated transition state for the nucleophilic attack on cationic η3-allylpalladium complexes Chemistry - a European Journal. 5: 902-909. DOI: 10.1002/(Sici)1521-3765(19990301)5:3<902::Aid-Chem902>3.0.Co;2-W  1
1999 Norrby PO. Molecular mechanics as a predictive tool in asymmetric catalysis Acs Symposium Series. 721: 163-172.  1
1998 Brandt P, Norrby T, Åkermark B, Norrby PO. Molecular Mechanics (MM3) Parameters for Ruthenium(II)-Polypyridyl Complexes. Inorganic Chemistry. 37: 4120-4127. PMID 11670532 DOI: 10.1021/Ic980021I  1
1998 Boström J, Norrby PO, Liljefors T. Conformational energy penalties of protein-bound ligands. Journal of Computer-Aided Molecular Design. 12: 383-96. PMID 9777496 DOI: 10.1023/A:1008007507641  1
1998 Tullis JS, Vares L, Kann N, Norrby PO, Rein T. Reagent control of geometric selectivity and enantiotopic group preference in asymmetric Horner-Wadsworth-Emmons reactions with meso- dialdehydes Journal of Organic Chemistry. 63: 8284-8294. DOI: 10.1021/Jo981102Z  1
1998 Brandt P, Norrby PO, Martin I, Rein T. A Quantum Chemical Exploration of the Horner-Wadsworth-Emmons Reaction Journal of Organic Chemistry. 63: 1280-1289. DOI: 10.1021/Jo971973T  1
1998 Hansson AP, Norrby PO, Wärnmark K. A bis(crown-ether) analogue of Troger's base: Recognition of achiral and chiral primary bisammonium salts Tetrahedron Letters. 39: 4565-4568. DOI: 10.1016/S0040-4039(98)00807-7  1
1998 Norrby P, Liljefors T. Automated Molecular Mechanics Parameterization With Simultaneous Utilization Of Experimental And Quantum Mechanical Data Journal of Computational Chemistry. 19: 1146-1166. DOI: 10.1002/(Sici)1096-987X(19980730)19:10<1146::Aid-Jcc4>3.0.Co;2-M  1
1998 Brandt P, Norrby T, Åkermark B, Norrby PO. Molecular Mechanics (MM3*) Parameters for Ruthenium(II)-Polypyridyl Complexes Inorganic Chemistry. 37: 4120-4127.  1
1997 Korall P, Börje A, Norrby PO, Åkermark B. High yield preparation of 4′-(4-bromophenyl)-2,2′: 6′,2′-terpyridine by a condensation reaction. Determination of the stereochemistry of two complex by-products by a combination of molecular mechanics and NMR spectroscopy Acta Chemica Scandinavica. 51: 760-766. DOI: 10.3891/Acta.Chem.Scand.51-0760  1
1997 Frydenvang K, Matzen L, Norrby PO, Sløk FA, Liljefors T, Krogsgaard-Larsen P, Jaroszewski JW. Structural characteristics of isoxazol-3-ol and isothiazol-3-ol, carboxy group bioisosteres examined by X-ray crystallography and ab initio calculations Journal of the Chemical Society. Perkin Transactions 2. 1783-1791. DOI: 10.1039/A700332C  1
1997 Gypser A, Norrby PO. The theoretical basis of the isoinversion principle Journal of the Chemical Society. Perkin Transactions 2. 939-943. DOI: 10.1039/A606888J  1
1997 Oslob JD, Åkermark B, Helquist P, Norrby PO. Steric influences on the selectivity in palladium-catalyzed allylation Organometallics. 16: 3015-3021. DOI: 10.1021/Om9700371  1
1997 Sjögren MPT, Frisell H, Åkermark B, Norrby PO, Eriksson L, Vitagliano A. Molybdenum-catalyzed allylic substitution. influence of 1,10-phenanthroline ligands on reactivity and selectivity Organometallics. 16: 942-950. DOI: 10.1021/Om960260I  1
1997 Liljefors T, Norrby PO. An ab initio study of the trimethylamine-formic acid and the trimethylammonium ion-formate anion complexes, their monohydrates, and continuum solvation Journal of the American Chemical Society. 119: 1052-1058. DOI: 10.1021/Ja9616692  1
1997 Nelson DW, Gypser A, Ho PT, Kolb HC, Kondo T, Kwong HL, McGrath DV, Rubin AE, Norrby PO, Gable KP, Sharpless KB. 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. 119: 1840-1858. DOI: 10.1021/Ja961464T  1
1997 Linde C, Arnold M, Norrby PO, Akermark B. Is there a radical intermediate in the (salen)Mn-catalyzed epoxidation of alkenes? Angewandte Chemie - International Edition in English. 36: 1723-1725. DOI: 10.1002/Anie.199717231  1
1997 Linde C, Arnold M, Norrby P, Åkermark B. Gibt es eine radikalische Zwischenstufe bei der Mangan(salen)‐katalysierten Epoxidierung von Alkenen? Angewandte Chemie. 109: 1802-1803. DOI: 10.1002/Ange.19971091615  1
1996 Moberg C, Adolfsson H, Wärnmark K, Norrby PO, Marstokk KM, Møllendal H. Conformational Preference of 2-(Halomethyl)- and 2-(Oxymethyl)Pyridines: Microwave Spectrum, Ab Initio, and MM3 Studies of 2-(Fluoromethyl)Pyridine. Chemistry (Weinheim An Der Bergstrasse, Germany). 2: 516-522. PMID 29178226 DOI: 10.1002/Chem.19960020510  1
1996 Norrby PO, Gable KP. Kinetic constraints on possible reaction pathways for osmium-catalysed asymmetric dihydroxylation Journal of the Chemical Society. Perkin Transactions 2. 2: 171-178. DOI: 10.1039/P29960000171  1
1996 Norrby P, Becker H, Sharpless KB. Toward an Understanding of the High Enantioselectivity in the Osmium-Catalyzed Asymmetric Dihydroxylation. 3. New Insights into Isomeric Forms of the Putative Osmaoxetane Intermediate Journal of the American Chemical Society. 118: 35-42. DOI: 10.1021/Ja952470C  1
1996 Peña-Cabrera E, Norrby PO, Sjögren M, Vitagliano A, De Felice V, Oslob J, Ishii S, O'Neill D, Åkermark B, Helquist P. Molecular mechanics predictions and experimental testing of asymmetric palladium-catalyzed allylation reactions using new chiral phenanthroline ligands Journal of the American Chemical Society. 118: 4299-4313. DOI: 10.1021/ja950860t  1
1996 Moberg C, Adolfsson H, Wärnmark K, Norrby PO, Marstokk KM, Møllendal H. Conformational preference of 2-(halomethyl)- and 2-(oxymethyl)pyridines: Microwave spectrum, ab initio, and MM 3 studies of 2-(fluoromethyl)pyridine Chemistry - a European Journal. 2: 516-522. DOI: 10.1002/chem.19960020510  1
1996 Gundertofte K, Liljefors T, Norrby PO, Pettersson I. A comparison of conformational energies calculated by several molecular mechanics methods Journal of Computational Chemistry. 17: 429-449. DOI: 10.1002/(Sici)1096-987X(199603)17:4<429::Aid-Jcc5>3.0.Co;2-W  1
1996 Norrby PO, Becker H, Sharples KB. Toward an understanding of the high enantioselectivity in the osmium-catalyzed asymmetric dihydroxylation. 3. New insights into isomeric forms of the putative osmaoxetane intermediate Journal of the American Chemical Society. 118: 35-41.  1
1995 Martin JT, Oslob JD, Åkermark B, Norrby P. A Detailed Study Of (Eta 3-Cyclohexenyl)Palladium Systems Acta Chemica Scandinavica. 49: 888-893. DOI: 10.3891/Acta.Chem.Scand.49-0888  1
1995 Daasbjerg K, Oslob JD, Åkermark B, Norrby P. Estimation Of The Pka For Some Hydrocarbons And Aldehydes And Solvation Energies Of The Corresponding Anions Acta Chemica Scandinavica. 49: 878-887. DOI: 10.3891/Acta.Chem.Scand.49-0878  1
1995 Janczak J, Kubiak R, Åkermark B, Norrby P. Synthesis And Crystal Structure Of Thallium(Iii) Bicyclic Phthalocyanine Acta Chemica Scandinavica. 49: 871-877. DOI: 10.3891/Acta.Chem.Scand.49-0871  1
1995 Aakermark B, Oslob JD, Norrby P. Conformations Of (Eta 3-Cyclohexenyl)Palladium Systems. A Molecular Mechanics (Mm2) Study Organometallics. 14: 1688-1693. DOI: 10.1021/Om00004A024  1
1995 Norrby PO, Linde C, Åkermark B. On the chirality transfer in the epoxidation of alkenes catalyzed by Mn(salen) complexes Journal of the American Chemical Society. 117: 11035-11036. DOI: 10.1021/Ja00149A038  1
1995 Norrby P, Wärnmark K, Åkermark B, Moberg C. Unusual conformational‐determining interactions in oxymethylpyridines: An ab initio study and an improved method for refining molecular mechanics parameters Journal of Computational Chemistry. 16: 620-627. DOI: 10.1002/Jcc.540160510  1
1995 Andersson PG, Harden A, Tanner D, Norrby P. Studies of Allylic Substitution Catalysed by a Palladium Complex of a C2-Symmetric Bis(aziridine): Preparation and NMR Spectroscopic Investigation of a Chiral n-Allyl Species Chemistry: a European Journal. 1: 12-16. DOI: 10.1002/Chem.19950010106  1
1995 Åkermark B, Oslob JD, Norrby PO. Conformations of (η3-cyclohexenyl)palladium systems. A Molecular Mechanics (MM2) study Organometallics. 14: 1688-1693.  1
1994 Norrby PO, Kolb HC, Sharpless KB. Calculations on the reaction of ruthenium tetroxide with olefins using density functional theory (DFT). Implications for the possibility of intermediates in osmium-catalyzed asymmetric dihydroxylation Organometallics. 13: 344-347. DOI: 10.1021/Om00013A050  1
1994 Norrby P, Kolb HC, Sharpless KB. Toward an Understanding of the High Enantioselectivity in the Osmium-Catalyzed Asymmetric Dihydroxylation. 2. A Qualitative Molecular Mechanics Approach Journal of the American Chemical Society. 116: 8470-8478. DOI: 10.1021/Ja00098A006  1
1994 Becker H, Tong Ho P, Kolb HC, Loren S, Norrby PO, Sharpless KB. Comparing two models for the selectivity in the asymmetric dihydroxylation reaction (AD) Tetrahedron Letters. 35: 7315-7318. DOI: 10.1016/0040-4039(94)85302-9  1
1994 Norrby PO, Kolb HC, Sharpless KB. Calculations on the reaction of ruthenium tetraoxide with olefins using density functional theory (DFT). Implications for the possibility of intermediates in the osmium-catalyzed asymmetric dihydroxylation (AD) Organometallics. 13: 344-347.  1
1994 Norrby PO, Kolb HC, Sharpless KB. Toward an understanding of the high enantioselectivity in the osmium-catalyzed asymmetric dihydroxylation. 2. A qualitative molecular mechanics approach Journal of the American Chemical Society. 116: 8470-8478.  1
1993 Hansson S, Norrby PO, Soegren MPT, Aakermark B, Cucciolito ME, Giordano F, Vitagliano A. Effects of phenanthroline type ligands on the dynamic processes of (.eta.3-allyl)palladium complexes. Molecular structure of (2,9-dimethyl-1,10-phenanthroline)[(1,2,3-.eta.)-3-methyl-2-butenyl]chloropalladium Organometallics. 12: 4940-4948. DOI: 10.1021/Om00036A038  1
1993 Norrby PO, Åkermark B, Hæffner F, Hansson S, Blomberg M. Molecular mechanics (MM2) parameters for the (η3-Allyl)palladium moiety Journal of the American Chemical Society. 115: 4859-4867.  1
1993 Hansson S, Norrby PO, Sjögren MPT, Åkermark B, Cucciolito ME, Giordano F, Vitagliano A. 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 Organometallics. 12: 4940-4948.  1
1993 Martin JT, Norrby PO, Åkermark B. Calculation of NMR observables from computed conformers as a tool of structure verification. Confirmation of the stereochemistry of trans-methyl 2,3-dimethyl-5-methoxy-2-cyclohexene-1-carboxylate Journal of Organic Chemistry. 58: 1400-1406.  1
1992 Sjoegren M, Hansson S, Norrby PO, Aakermark B, Cucciolito ME, Vitagliano A. Selective stabilization of the anti isomer of (.eta.3-allyl)palladium and -platinum complexes Organometallics. 11: 3954-3964. DOI: 10.1021/Om00060A009  1
1992 Sjögren M, Hansson S, Norrby PO, Åkermark B, Cucciolito ME, Vitagliano A. Selective stabilization of the anti isomer of (η3-allyl)palladium and -platinum complexes Organometallics. 11: 3954-3964.  1
1990 Bergman J, Norrby PO, Sand P. Alkylation with Oxalic Esters. Scope and mechanism Tetrahedron. 46: 6113-6124. DOI: 10.1016/S0040-4020(01)87933-3  1
1989 Bergman J, Norrby PO, Tilstam U, Venemalm L. Structure elucidation of some products obtained by acid-catalyzed condensation of indole with acetone Tetrahedron. 45: 5549-5564. DOI: 10.1016/S0040-4020(01)89501-6  1
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