| The singlet and triplet states of phenyl cation. A hybrid approach for locating minimum energy crossing points between non-interacting potential energy surfaces JN Harvey, M Aschi, H Schwarz, W Koch Theoretical Chemistry Accounts 99, 95-99, 1998 | 974 | 1998 |
| Radicals in organic synthesis P Renaud Radicals in Organic Synthesis 1, 2001 | 774 | 2001 |
| Mechanism of the Hydrogenation of Ketones Catalyzed by trans-Dihydrido(diamine)ruthenium(II) Complexes K Abdur-Rashid, SE Clapham, A Hadzovic, JN Harvey, AJ Lough, ... Journal of the American Chemical Society 124 (50), 15104-15118, 2002 | 577 | 2002 |
| Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges R Poli, JN Harvey Chemical Society Reviews 32 (1), 1-8, 2003 | 501 | 2003 |
| Understanding the kinetics of spin-forbidden chemical reactions JN Harvey Physical Chemistry Chemical Physics 9 (3), 331-343, 2007 | 449 | 2007 |
| On the accuracy of density functional theory in transition metal chemistry JN Harvey Annual Reports Section" C"(Physical Chemistry) 102, 203-226, 2006 | 418 | 2006 |
| When and how do diaminocarbenes dimerize? RW Alder, ME Blake, L Chaker, JN Harvey, F Paolini, J Schütz Angewandte Chemie International Edition 43 (44), 5896-5911, 2004 | 357 | 2004 |
| Understanding the reactivity of transition metal complexes involving multiple spin states JN Harvey, R Poli, KM Smith Coordination chemistry reviews 238, 347-361, 2003 | 356 | 2003 |
| High-accuracy computation of reaction barriers in enzymes F Claeyssens, JN Harvey, FR Manby, RA Mata, AJ Mulholland, ... ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 45 (41), 6856, 2006 | 345 | 2006 |
| Spin-forbidden dehydrogenation of methoxy cation: a statistical view JN Harvey, M Aschi Physical Chemistry Chemical Physics 1 (24), 5555-5563, 1999 | 320 | 1999 |
| Mechanism of the Morita− Baylis− Hillman reaction: A computational investigation R Robiette, VK Aggarwal, JN Harvey Journal of the American Chemical Society 129 (50), 15513-15525, 2007 | 292 | 2007 |
| DFT computation of relative spin-state energetics of transition metal compounds N Kaltsoyannis, JE McGrady, JN Harvey Principles and applications of density functional theory in inorganic …, 2004 | 288 | 2004 |
| Assembly-line synthesis of organic molecules with tailored shapes M Burns, S Essafi, JR Bame, SP Bull, MP Webster, S Balieu, JW Dale, ... Nature 513 (7517), 183-188, 2014 | 282 | 2014 |
| Taking Ockham's razor to enzyme dynamics and catalysis DR Glowacki, JN Harvey, AJ Mulholland Nature chemistry 4 (3), 169-176, 2012 | 278 | 2012 |
| Aryl trifluoroborates in Suzuki–Miyaura coupling: the roles of endogenous aryl boronic acid and fluoride M Butters, JN Harvey, J Jover, AJJ Lennox, GC Lloyd‐Jones, PM Murray Angewandte Chemie 30 (122), 5282-5286, 2010 | 270 | 2010 |
| Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus (III)-donor ligands and the metal–phosphorus bond N Fey, AG Orpen, JN Harvey Coordination Chemistry Reviews 253 (5-6), 704-722, 2009 | 253 | 2009 |
| Reactivity and selectivity in the Wittig reaction: A computational study R Robiette, J Richardson, VK Aggarwal, JN Harvey Journal of the American Chemical Society 128 (7), 2394-2409, 2006 | 237 | 2006 |
| Spin‐forbidden reactions: computational insight into mechanisms and kinetics JN Harvey Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (1), 1-14, 2014 | 234 | 2014 |
| Accurate modelling of Pd (0)+ PhX oxidative addition kinetics CL McMullin, J Jover, JN Harvey, N Fey Dalton Transactions 39 (45), 10833-10836, 2010 | 215 | 2010 |
| Scope and challenge of computational methods for studying mechanism and reactivity in homogeneous catalysis JN Harvey, F Himo, F Maseras, L Perrin Acs Catalysis 9 (8), 6803-6813, 2019 | 213 | 2019 |
Adrian MulhollandProfessor of Chemistry, University of BristolVerified email at bristol.ac.uk
