Josep M. Luis

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Miquel Solà Puig (ORCID: 0000-0002-...University of Girona / Universitat de Girona (GRID grid.5319.e / ROR 01xdxns91)Dirección de correo verificada de udg.edu
Miquel Costas SalgueiroProfessor of Inorganic ChemistryDirección de correo verificada de udg.edu
Miquel DuranInstitute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)Dirección de correo verificada de udg.edu
Xavi RibasUniversitat de GironaDirección de correo verificada de udg.edu
Marc Garcia-BorràsUniversity of GironaDirección de correo verificada de udg.edu
Julio Lloret FillolICIQ, ICREA Research ProfessorDirección de correo verificada de iciq.es
Marcel SwartICREA; IQCC (Univ. Girona); Dept. Chem. (Univ. Girona)Dirección de correo verificada de icrea.cat
Silvia OsunaUniversitat de Girona & ICREADirección de correo verificada de udg.edu
Heribert ReisNational Hellenic Research FoundationDirección de correo verificada de eie.gr
Eduard MatitoIkerbasque Professor at Donostia International Physics Center (DIPC)Dirección de correo verificada de dipc.org
Ferran Acuña-ParésUniversidad Internacional de la Rioja (UNIR)Dirección de correo verificada de unir.net
Verònica Postils RibóUniversité Catholique de Louvain (UCL) - Institute of Condensed Matter and Nanosciences (MOST)Dirección de correo verificada de uclouvain.be
Oriol PlanasPhD Student, Universitat Ramón Llull - Institut Químic de SarriàDirección de correo verificada de iqs.es
Teodor ParellaServei Ressonància Magnètica Nuclear - Universitat Autònoma de Barcelona - CataloniaDirección de correo verificada de uab.cat
Ove ChristiansenDepartment of Chemistry, Aarhus UniversityDirección de correo verificada de chem.au.dk
Isaac Garcia-BoschAssociate Professor at Department of ChemistryDirección de correo verificada de andrew.cmu.edu
Pedro SalvadorDepartment of Chemistry, Institut de Quimica Computacional i Catalisi, Universitat de GironaDirección de correo verificada de udg.edu
Steven Roldán-GómezPh.DDirección de correo verificada de udg.edu
Aggelos AvramopoulosNational Hellenic Research FoundationDirección de correo verificada de eie.gr
Zoel CodolàUdGDirección de correo verificada de uriach.com

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Josep M. Luis

Institute of Computational Chemistry, Department of Chemistry, University of Girona

Dirección de correo verificada de udg.edu

Nonlinear optical properties Bioinorganic chemistry mechanistic studies Fullerenes


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
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	301	2011
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	188	2007
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	184	2008
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	178	2004
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	157	1998
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	144	2017
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	141	2013
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	125	2001
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	122	2014
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	118	2009
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	108	2011
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	98	2011
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	96	2019
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	95	1998
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	93	1999
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	89	2004
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	89	2000
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	88	2016
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	88	2014
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	86	2012

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