Artikler med krav om offentlig adgang - Agusti LledosFå flere oplysninger
Ikke tilgængelige nogen steder: 56
Computational perspective on Pd-catalyzed C–C cross-coupling reaction mechanisms
M Garcia-Melchor, AAC Braga, A Lledos, G Ujaque, F Maseras
Accounts of chemical research 46 (11), 2626-2634, 2013
Krav: Government of Spain
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
Krav: Government of Spain
Mechanistic exploration of the Pd-catalyzed copper-free Sonogashira reaction
M Garcia-Melchor, MC Pacheco, C Najera, A Lledos, G Ujaque
ACS Catalysis 2 (1), 135-144, 2012
Krav: Government of Spain
Breaking C–F bonds via nucleophilic attack of coordinated ligands: transformations from C–F to C–X bonds (X= H, N, O, S)
A Nova, R Mas-Balleste, A Lledos
Organometallics 31 (4), 1245-1256, 2012
Krav: Government of Spain
Incorporation of manganese complexes into xylanase: new artificial metalloenzymes for enantioselective epoxidation
M Allard, C Dupont, V Munoz Robles, N Doucet, A Lledós, JD Maréchal, ...
ChemBioChem 13 (2), 240-251, 2012
Krav: Government of Spain
The transmetalation process in Suzuki–Miyaura reactions: calculations indicate lower barrier via boronate intermediate
MA Ortuño, A Lledós, F Maseras, G Ujaque
ChemCatChem 6 (11), 3132-3138, 2014
Krav: Government of Spain
Cationic intermediates in the Pd-catalyzed Negishi coupling. Kinetic and density functional theory study of alternative transmetalation pathways in the Me–Me coupling of ZnMe2 …
M Garcia-Melchor, B Fuentes, A Lledos, JA Casares, G Ujaque, P Espinet
Journal of the American Chemical Society 133 (34), 13519-13526, 2011
Krav: Government of Spain
First-principles molecular dynamics studies of organometallic complexes and homogeneous catalytic processes
P Vidossich, A Lledos, G Ujaque
Accounts of Chemical Research 49 (6), 1271-1278, 2016
Krav: Government of Spain
Highly efficient redox isomerisation of allylic alcohols catalysed by pyrazole‐based ruthenium (IV) complexes in water: mechanisms of bifunctional catalysis in water
L Bellarosa, J Díez, J Gimeno, A Lledós, FJ Suárez, G Ujaque, C Vicent
Chemistry–A European Journal 18 (25), 7749-7765, 2012
Krav: Government of Spain
Synthesis, Structure, and Catalytic Applications for ortho- and meta-Carboranyl Based NBN Pincer-Pd Complexes
MY Tsang, C Vinas, F Teixidor, JG Planas, N Conde, R SanMartin, ...
Inorganic Chemistry 53 (17), 9284-9295, 2014
Krav: Government of Spain
A versatile Ru catalyst for the asymmetric transfer hydrogenation of both aromatic and aliphatic sulfinylimines
O Pablo, D Guijarro, G Kovacs, A Lledos, G Ujaque, M Yus
Chemistry–A European Journal 18 (7), 1969-1983, 2012
Krav: Government of Spain
Direct Asymmetric Hydrogenation of N-Methyl and N-Alkyl Imines with an Ir(III)H Catalyst
E Salomó, A Gallen, G Sciortino, G Ujaque, A Grabulosa, A Lledós, ...
Journal of the American Chemical Society 140 (49), 16967-16970, 2018
Krav: Government of Spain
Cobalt-catalyzed vinylation of aromatic halides using β-halostyrene: experimental and DFT studies
A Moncomble, PL Floch, A Lledos, C Gosmini
The Journal of Organic Chemistry 77 (11), 5056-5062, 2012
Krav: Government of Spain
Toward the computational design of artificial metalloenzymes: From protein–ligand docking to multiscale approaches
V Munoz Robles, E Ortega-Carrasco, L Alonso-Cotchico, ...
ACS Catalysis 5 (4), 2469-2480, 2015
Krav: Government of Spain
The Wacker Process: Inner‐or Outer‐Sphere Nucleophilic Addition? New Insights from Ab Initio Molecular Dynamics
A Comas‐Vives, A Stirling, A Lledós, G Ujaque
Chemistry–A European Journal 16 (29), 8738-8747, 2010
Krav: Hungarian Scientific Research Fund
Mechanistic studies on the Pd-catalyzed vinylation of aryl halides with vinylalkoxysilanes in water: The effect of the solvent and NaOH promoter
A Gordillo, MA Ortuño, C López-Mardomingo, A Lledós, G Ujaque, ...
Journal of the American Chemical Society 135 (37), 13749-13763, 2013
Krav: Government of Spain
Imidazole based ruthenium (IV) complexes as highly efficient bifunctional catalysts for the redox isomerization of allylic alcohols in aqueous medium: water as cooperating ligand
J Diez, J Gimeno, A Lledos, FJ Suarez, C Vicent
ACS Catalysis 2 (10), 2087-2099, 2012
Krav: Government of Spain
Gold versus Silver‐Catalyzed Intermolecular Hydroaminations of Alkenes and Dienes
X Giner, C Najera, G Kovács, A Lledós, G Ujaque
Advanced Synthesis & Catalysis 353 (18), 3451-3466, 2011
Krav: Government of Spain
Tuning N‐Heterocyclic Carbenes in T‐Shaped PtII Complexes for Intermolecular CH Bond Activation of Arenes
O Rivada‐Wheelaghan, MA Ortuño, J Díez, A Lledós, S Conejero
Angewandte Chemie International Edition 51 (16), 3936-3939, 2012
Krav: Government of Spain
The use of localised orbitals for the bonding and mechanistic analysis of organometallic compounds
P Vidossich, A Lledós
Dalton Transactions 43 (29), 11145-11151, 2014
Krav: Government of Spain
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