| A Combined Theoretical and Experimental Study on the Role of Spin States in the Chemistry of Fe(CO)5 Photoproducts M Besora, JL Carreon-Macedo, AJ Cowan, MW George, JN Harvey, ... Journal of the American Chemical Society 131 (10), 3583-3592, 2009 | 135 | 2009 |
| Microkinetic modeling in homogeneous catalysis M Besora, F Maseras Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (6), e1372, 2018 | 128 | 2018 |
| Protonation of transition-metal hydrides: a not so simple process M Besora, A Lledós, F Maseras Chemical Society Reviews 38 (4), 957-966, 2009 | 118 | 2009 |
| Calculation of reaction free energies in solution: a comparison of current approaches M Besora, P Vidossich, A Lledos, G Ujaque, F Maseras The Journal of Physical Chemistry A 122 (5), 1392-1399, 2018 | 115 | 2018 |
| Gold (I) carbenes by retro-Buchner reaction: generation and fate Y Wang, PR McGonigal, B Herle, M Besora, AM Echavarren Journal of the American Chemical Society 136 (2), 801-809, 2014 | 108 | 2014 |
| Oxidative additions of aryl halides to palladium proceed through the monoligated complex K Vikse, T Naka, JS McIndoe, M Besora, F Maseras ChemCatChem 5 (12), 3604-3609, 2013 | 106 | 2013 |
| Influence of Media and Homoconjugate Pairing on Transition Metal Hydride Protonation. An IR and DFT Study on Proton Transfer to CpRuH(CO)(PCy3) NV Belkova, M Besora, LM Epstein, A Lledós, F Maseras, ES Shubina Journal of the American Chemical Society 125 (25), 7715-7725, 2003 | 98 | 2003 |
| Computational analysis of Amine− Borane adducts as potential hydrogen storage materials with reversible hydrogen uptake A Staubitz, M Besora, JN Harvey, I Manners Inorganic chemistry 47 (13), 5910-5918, 2008 | 93 | 2008 |
| The importance of conformational search: a test case on the catalytic cycle of the Suzuki–Miyaura cross-coupling M Besora, AAC Braga, G Ujaque, F Maseras, A Lledós Theoretical Chemistry Accounts 128, 639-646, 2011 | 82 | 2011 |
| Competitive and Selective Csp3Br versus Csp2Br Bond Activation in Palladium‐Catalysed Suzuki Cross‐Coupling: An Experimental and Theoretical Study of … C Mollar, M Besora, F Maseras, G Asensio, M Medio‐Simón Chemistry–A European Journal 16 (45), 13390-13397, 2010 | 74 | 2010 |
| First Investigation of Non‐Classical Dihydrogen Bonding between an Early Transition‐Metal Hydride and Alcohols: IR, NMR, and DFT Approach EV Bakhmutova, VI Bakhmutov, NV Belkova, M Besora, LM Epstein, ... Chemistry–A European Journal 10 (3), 661-671, 2004 | 62 | 2004 |
| On the origin of α-and β-agostic distortions in early-transition-metal alkyl complexes DA Pantazis, JE McGrady, M Besora, F Maseras, M Etienne Organometallics 27 (6), 1128-1134, 2008 | 61 | 2008 |
| Mechanistic studies on gold-catalyzed direct arene C–H bond functionalization by carbene insertion: the coinage-metal effect MR Fructos, M Besora, AAC Braga, MM Díaz-Requejo, F Maseras, ... Organometallics 36 (1), 172-179, 2017 | 60 | 2017 |
| Computational study on the mechanism of the acceleration of 1, 3-dipolar cycloaddition inside cucurbit [6] uril C Goehry, M Besora, F Maseras ACS Catalysis 5 (4), 2445-2451, 2015 | 60 | 2015 |
| Coordination modes and hydride exchange dynamics in transition metal tetrahydroborate complexes M Besora, A Lledos Contemporary Metal Boron Chemistry I: Borylenes, Boryls, Borane σ-Complexes …, 2008 | 60 | 2008 |
| Phosphine and solvent effects on oxidative addition of CH3Br to Pd (PR3) and Pd (PR3) 2 complexes M Besora, C Gourlaouen, B Yates, F Maseras Dalton Transactions 40 (42), 11089-11094, 2011 | 59 | 2011 |
| Bond energy M–C/H–C correlations: dual theoretical and experimental approach to the sensitivity of M–C bond strength to substituents E Clot, M Besora, F Maseras, C Mégret, O Eisenstein, B Oelckers, ... Chemical communications, 490-491, 2003 | 58 | 2003 |
| Reaction of alkynes and azides: not triazoles through copper–acetylides but oxazoles through copper–nitrene intermediates E Haldón, M Besora, I Cano, XC Cambeiro, MA Pericàs, F Maseras, ... Chemistry–A European Journal 20 (12), 3463-3474, 2014 | 48 | 2014 |
| Crucial Role of Anions on the Deprotonation of the Cationic Dihydrogen Complex trans-[FeH(η2-H2)(dppe)2]+ MG Basallote, M Besora, CE Castillo, MJ Fernández-Trujillo, A Lledós, ... Journal of the American Chemical Society 129 (20), 6608-6618, 2007 | 47 | 2007 |
| Spin-state changes and reactivity in transition metal chemistry: Reactivity of iron tetracarbonyl M Besora, JL Carreon-Macedo, Á Cimas, JN Harvey Advances in Inorganic Chemistry 61, 573-623, 2009 | 45 | 2009 |
