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Maria Besora
Maria Besora
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Year
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
1322009
Protonation of transition-metal hydrides: a not so simple process
M Besora, A Lledós, F Maseras
Chemical Society Reviews 38 (4), 957-966, 2009
1152009
Microkinetic modeling in homogeneous catalysis
M Besora, F Maseras
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (6), e1372, 2018
1122018
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
1082018
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
1072014
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
1002013
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
972003
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
932008
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
812011
Competitive and Selective Csp3Br versus Csp2Br 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
722010
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
612008
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
612008
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
612004
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
602015
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
582011
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
572017
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
572003
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
482014
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
472007
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
452009
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