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Josep M. Luis
Josep M. Luis
Institute of Computational Chemistry, Department of Chemistry, University of Girona
Verified email at udg.edu
Title
Cited by
Cited by
Year
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
2682011
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
1732004
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
1712007
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
1531998
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
1452008
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), 8042-8047, 2013
1292013
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
1112009
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
1102001
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
1062014
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
1002011
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
901998
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
891999
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
872000
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
842011
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
792014
Vibration and two-photon absorption
DM Bishop, JM Luis, B Kirtman
The Journal of chemical physics 116 (22), 9729-9739, 2002
792002
Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp2)–H Functionalizations and New Insights into Alkyne Annulation Reaction …
O Planas, CJ Whiteoak, V Martin-Diaconescu, I Gamba, JM Luis, T Parella, ...
Journal of the American Chemical Society 138 (43), 14388-14397, 2016
752016
Electronic and vibrational nonlinear optical properties of five representative electrides
M Garcia-Borràs, M Solà, JM Luis, B Kirtman
Journal of Chemical Theory and Computation 8 (8), 2688-2697, 2012
752012
Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations?
M Torrent-Sucarrat, JM Luis, M Duran, M Sola
The Journal of chemical physics 117 (23), 10561-10570, 2002
752002
Olefin‐Dependent Discrimination between Two Nonheme HOFeVO Tautomeric Species in Catalytic H2O2 Epoxidations
A Company, Y Feng, M Güell, X Ribas, JM Luis, L Que Jr, M Costas
Chemistry–A European Journal 15 (14), 3359-3362, 2009
742009
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