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Josep M. Luis
Josep M. Luis
Institute of Computational Chemistry, Department of Chemistry, University of Girona
Bestätigte E-Mail-Adresse bei udg.edu
Titel
Zitiert von
Zitiert von
Jahr
Observation of Fe(V)=O using variable-temperature mass spectrometry and its enzyme-like C–H and C=C oxidation reactions
I Prat, JS Mathieson, M Güell, X Ribas, JM Luis, L Cronin, M Costas
Nature Chemistry 3 (10), 788-793, 2011
3022011
Alkane hydroxylation by a nonheme iron catalyst that challenges the heme paradigm for oxygenase action
A Company, L Gómez, M Güell, X Ribas, JM Luis, L Que, M Costas
Journal of the American Chemical Society 129 (51), 15766-15767, 2007
1892007
Importance of the basis set for the spin-state energetics of iron complexes
M Güell, JM Luis, M Sola, M Swart
The Journal of Physical Chemistry A 112 (28), 6384-6391, 2008
1842008
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules
M Torrent-Sucarrat, M Sola, M Duran, JM Luis, B Kirtman
The Journal of chemical physics 120 (14), 6346-6355, 2004
1792004
Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities
DM Bishop, JM Luis, B Kirtman
The Journal of chemical physics 108 (24), 10013-10017, 1998
1571998
Carboxylate-Assisted Formation of Aryl-Co (III) Masked-Carbenes in Cobalt-Catalyzed C–H Functionalization with Diazo Esters
O Planas, S Roldan-Gomez, V Martin-Diaconescu, T Parella, JM Luis, ...
Journal of the American Chemical Society 139 (41), 14649-14655, 2017
1462017
Electronic Effects on Single-Site Iron Catalysts for Water Oxidation.
Z Codolà, I Garcia‐Bosch, F Acuña‐Parés, I Prat, JM Luis, M Costas, ...
Chemistry-A European Journal 19 (25), 2013
1422013
On the validity of the maximum hardness and minimum polarizability principles for nontotally symmetric vibrations
M Torrent-Sucarrat, JM Luis, M Duran, M Solà
Journal of the American Chemical Society 123 (32), 7951-7952, 2001
1262001
The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo) fullerenes
M Garcia-Borras, S Osuna, JM Luis, M Swart, M Sola
Chemical Society Reviews 43 (14), 5089-5105, 2014
1222014
Linear and nonlinear optical properties of [60] fullerene derivatives
O Loboda, R Zalesny, A Avramopoulos, JM Luis, B Kirtman, ...
The Journal of Physical Chemistry A 113 (6), 1159-1170, 2009
1192009
Modeling the cis‐Oxo‐Labile Binding Site Motif of Non‐Heme Iron Oxygenases: Water Exchange and Oxidation Reactivity of a Non‐Heme Iron(IV)‐Oxo Compound …
A Company, I Prat, JR Frisch, DR Mas‐Ballesté, M Gueell, G Juhasz, ...
Chemistry–A European Journal 17 (5), 1622-1634, 2011
1092011
Evaluation of the nonlinear optical properties for annulenes with Huckel and Mobius topologies
M Torrent-Sucarrat, JM Anglada, JM Luis
Journal of Chemical Theory and Computation 7 (12), 3935-3943, 2011
982011
A Unified Electro- and Photocatalytic CO2 to CO Reduction Mechanism with Aminopyridine Cobalt Complexes
S Fernández, F Franco, C Casadevall, V Martin-Diaconescu, JM Luis, ...
Journal of the American Chemical Society 142 (1), 120-133, 2019
962019
Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: Curvature contributions
B Kirtman, JM Luis, DM Bishop
The Journal of chemical physics 108 (24), 10008-10012, 1998
951998
Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: On the role of the Eckart conditions, their implementation, and their use in characterizing …
JM Luis, M Duran, JL Andrés, B Champagne, B Kirtman
The Journal of chemical physics 111 (3), 875-884, 1999
941999
Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates
JM Luis, M Duran, B Champagne, B Kirtman
The Journal of Chemical Physics 113 (13), 5203-5213, 2000
902000
Iron and Manganese Catalysts for the Selective Functionalization of Arene C(sp2)−H Bonds by Carbene Insertion
A Conde, G Sabenya, M Rodríguez, V Postils, JM Luis, MM Díaz‐Requejo, ...
Angewandte Chemie International Edition 55 (22), 6530-6534, 2016
892016
Unraveling the mechanism of water oxidation catalyzed by nonheme iron complexes
F Acuña‐Parés, Z Codolà, M Costas, JM Luis, J Lloret‐Fillol
Chemistry–A European Journal 20 (19), 5696-5707, 2014
892014
A different approach for calculating Franck–Condon factors including anharmonicity
JM Luis, DM Bishop, B Kirtman
The Journal of chemical physics 120 (2), 813-822, 2004
892004
Electronic and vibrational nonlinear optical properties of five representative electrides
M Garcia-Borras, M Solà, JM Luis, B Kirtman
Journal of Chemical Theory and Computation 8 (8), 2688-2697, 2012
862012
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