| Conformational energy penalties of protein-bound ligands J Boström, PO Norrby, T Liljefors Journal of computer-aided molecular design 12, 383-383, 1998 | 291 | 1998 |
| Copper‐catalyzed cross‐couplings with part‐per‐million catalyst loadings PF Larsson, A Correa, M Carril, PO Norrby, C Bolm Angewandte Chemie 121 (31), 5801-5803, 2009 | 277 | 2009 |
| Mechanistic studies of copper-catalyzed alkene aziridination P Brandt, MJ Södergren, PG Andersson, PO Norrby Journal of the American Chemical Society 122 (33), 8013-8020, 2000 | 262 | 2000 |
| Molecular Mechanics and Comparison of Force Fields T Liljefors, K Gundertofte, P NORRBY, I Pettersson Computational Medicinal Chemistry for Drug Discovery, 1-28, 2003 | 221* | 2003 |
| Oxidative addition of aryl chlorides to monoligated palladium (0): A DFT-SCRF study M Ahlquist, PO Norrby Organometallics 26 (3), 550-553, 2007 | 209 | 2007 |
| The mechanism for the rhodium-catalyzed decarbonylation of aldehydes: a combined experimental and theoretical study P Fristrup, M Kreis, A Palmelund, PO Norrby, R Madsen Journal of the American Chemical Society 130 (15), 5206-5215, 2008 | 208 | 2008 |
| A comparison of conformational energies calculated by several molecular mechanics methods K Gundertofte, T Liljefors, P Norrby, I Pettersson Journal of Computational Chemistry 17 (4), 429-449, 1996 | 203 | 1996 |
| Mechanism, reactivity, and selectivity in palladium-catalyzed redox-relay Heck arylations of alkenyl alcohols L Xu, MJ Hilton, X Zhang, PO Norrby, YD Wu, MS Sigman, O Wiest Journal of the American Chemical Society 136 (5), 1960-1967, 2014 | 194 | 2014 |
| A DFT study of R− X bond dissociation enthalpies of relevance to the initiation process of atom transfer radical polymerization MB Gillies, K Matyjaszewski, PO Norrby, T Pintauer, R Poli, P Richard Macromolecules 36 (22), 8551-8559, 2003 | 192 | 2003 |
| Heck Coupling with Nonactivated Alkenyl Tosylates and Phosphates: Examples of Effective 1, 2‐Migrations of the Alkenyl Palladium (II) Intermediates AL Hansen, JP Ebran, M Ahlquist, PO Norrby, T Skrydstrup Angewandte Chemie International Edition 45 (20), 3349-3353, 2006 | 191 | 2006 |
| Theoretical evidence for low-ligated palladium (0):[Pd− L] as the active species in oxidative addition reactions M Ahlquist, P Fristrup, D Tanner, PO Norrby Organometallics 25 (8), 2066-2073, 2006 | 189 | 2006 |
| Computational insights into palladium-mediated allylic substitution reactions J Kleimark, PO Norrby Transition Metal Catalyzed Enantioselective Allylic Substitution in Organic …, 2012 | 178* | 2012 |
| Pyranoside phosphite–oxazoline ligands for the highly versatile and enantioselective Ir-catalyzed hydrogenation of minimally functionalized olefins. a combined theoretical and … J Mazuela, PO Norrby, PG Andersson, O Pamies, M Dieguez Journal of the American Chemical Society 133 (34), 13634-13645, 2011 | 175 | 2011 |
| Structure-based rationale for selectivity in the asymmetric allylic alkylation of cycloalkenyl esters employing the trost ‘standard ligand’(TSL): isolation, analysis and … CP Butts, E Filali, GC Lloyd-Jones, PO Norrby, DA Sale, Y Schramm Journal of the American Chemical Society 131 (29), 9945-9957, 2009 | 175 | 2009 |
| Toward an understanding of the high enantioselectivity in the osmium-catalyzed asymmetric dihydroxylation. 4. Electronic effects in amine-accelerated osmylations DW Nelson, A Gypser, PT Ho, HC Kolb, T Kondo, HL Kwong, DV McGrath, ... Journal of the American Chemical Society 119 (8), 1840-1858, 1997 | 161 | 1997 |
| Computational prediction of chemical reactions: current status and outlook O Engkvist, PO Norrby, N Selmi, Y Lam, Z Peng, EC Sherer, W Amberg, ... Drug discovery today 23 (6), 1203-1218, 2018 | 159 | 2018 |
| Timing is critical: Effect of spin changes on the diastereoselectivity in Mn (salen)-catalyzed epoxidation C Linde, B Åkermark, PO Norrby, M Svensson Journal of the American Chemical Society 121 (21), 5083-5084, 1999 | 146 | 1999 |
| Toward an understanding of the high enantioselectivity in the osmium-catalyzed asymmetric dihydroxylation. 2. A qualitative molecular mechanics approach PO Norrby, HC Kolb, KB Sharpless Journal of the American Chemical Society 116 (19), 8470-8478, 1994 | 146 | 1994 |
| Mild and efficient nickel-catalyzed Heck reactions with electron-rich olefins TM Gøgsig, J Kleimark, SO Nilsson Lill, S Korsager, AT Lindhardt, ... Journal of the American Chemical Society 134 (1), 443-452, 2012 | 145 | 2012 |
| Automated molecular mechanics parameterization with simultaneous utilization of experimental and quantum mechanical data PO Norrby, T Liljefors Journal of computational chemistry 19 (10), 1146-1166, 1998 | 142 | 1998 |
Olaf WiestUniversity of Notre DameVerified email at nd.edu
