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 | 278 | 2010 |
Accurate modelling of Pd (0)+ PhX oxidative addition kinetics CL McMullin, J Jover, JN Harvey, N Fey Dalton Transactions 39 (45), 10833-10836, 2010 | 210 | 2010 |
A computational study of phosphine ligand effects in Suzuki–Miyaura coupling J Jover, N Fey, M Purdie, GC Lloyd-Jones, JN Harvey Journal of Molecular Catalysis A: Chemical 324 (1-2), 39-47, 2010 | 183 | 2010 |
Expansion of the ligand knowledge base for monodentate P-donor ligands (LKB-P) J Jover, N Fey, JN Harvey, GC Lloyd-Jones, AG Orpen, GJJ Owen-Smith, ... Organometallics 29 (23), 6245-6258, 2010 | 147 | 2010 |
QSPR Prediction of pKa for Benzoic Acids in Different Solvents J Jover, R Bosque, J Sales QSAR & Combinatorial Science 27 (5), 563-581, 2008 | 111 | 2008 |
Neural Network Based QSPR Study for Predicting pKa of Phenols in Different Solvents J Jover, R Bosque, J Sales QSAR & Combinatorial Science 26 (3), 385-397, 2007 | 97 | 2007 |
Expansion of the ligand knowledge base for chelating P, P-donor ligands (LKB-PP) J Jover, N Fey, JN Harvey, GC Lloyd-Jones, AG Orpen, GJJ Owen-Smith, ... Organometallics 31 (15), 5302-5306, 2012 | 94 | 2012 |
The computational road to better catalysts J Jover, N Fey Chemistry–An Asian Journal 9 (7), 1714-1723, 2014 | 83 | 2014 |
Toward a mechanistic understanding of oxidative homocoupling: the Glaser–Hay reaction J Jover, P Spuhler, L Zhao, C McArdle, F Maseras Catalysis Science & Technology 4 (12), 4200-4209, 2014 | 81 | 2014 |
The Newman–Kwart Rearrangement of O‐Aryl Thiocarbamates: Substantial Reduction in Reaction Temperatures through Palladium Catalysis JN Harvey, J Jover, GC Lloyd‐Jones, JD Moseley, P Murray, JS Renny Angewandte Chemie International Edition 48 (41), 7612-7615, 2009 | 81 | 2009 |
Computational assessment on the Tolman cone angles for P-ligands J Jover, J Cirera Dalton Transactions 48 (40), 15036-15048, 2019 | 77 | 2019 |
Determination of Abraham solute parameters from molecular structure J Jover, R Bosque, J Sales Journal of chemical information and computer sciences 44 (3), 1098-1106, 2004 | 77 | 2004 |
Organometallic reactivity: the role of metal–ligand bond energies from a computational perspective N Fey, BM Ridgway, J Jover, CL McMullin, JN Harvey Dalton Transactions 40 (42), 11184-11191, 2011 | 75 | 2011 |
Single-molecule magnetism arising from cobalt (II) nodes of a crystalline sponge G Brunet, DA Safin, J Jover, E Ruiz, M Murugesu Journal of Materials Chemistry C 5 (4), 835-841, 2017 | 70 | 2017 |
A Pseudo‐Octahedral Cobalt (II) Complex with Bispyrazolylpyridine Ligands Acting as a Zero‐Field Single‐Molecule Magnet with Easy Axis Anisotropy L Rigamonti, N Bridonneau, G Poneti, L Tesi, L Sorace, D Pinkowicz, ... Chemistry–A European Journal 24 (35), 8857-8868, 2018 | 69 | 2018 |
Modulation of single-molecule magnet behaviour via photochemical [2+ 2] cycloaddition LF Wang, JZ Qiu, JL Liu, YC Chen, JH Jia, J Jover, E Ruiz, ML Tong Chemical communications 51 (84), 15358-15361, 2015 | 67 | 2015 |
A comparison of the binding affinity of the common amino acids with different metal cations J Jover, R Bosque, J Sales Dalton Transactions, 6441-6453, 2008 | 61 | 2008 |
Computational characterization of the mechanism for coinage-metal-catalyzed carboxylation of terminal alkynes J Jover, F Maseras The Journal of Organic Chemistry 79 (24), 11981-11987, 2014 | 48 | 2014 |
On the feasibility of nickel-catalyzed trifluoromethylation of aryl halides J Jover, FM Miloserdov, J Benet-Buchholz, VV Grushin, F Maseras Organometallics 33 (22), 6531-6543, 2014 | 47 | 2014 |
Investigation of easy-plane magnetic anisotropy in P-ligand square-pyramidal Co II single ion magnets AK Mondal, J Jover, E Ruiz, S Konar Chemical communications 53 (38), 5338-5341, 2017 | 45 | 2017 |