Trabajos de Feliu Maseras

Chemistry


  Listando 52 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article Water oxidation electrocatalysis using ruthenium coordination oligomers adsorbed on multiwalled carbon nanotubes Hoque, Md Asmaul; Gil-Sepulcre, Marcos; de Aguirre, Adiran; Elemans, Johannes A. A. W.; Moonshiram, Dooshaye; Matheu, Roc; Shi, Yuanyuan; Benet-Buchholz, Jordi; Sala, Xavier; Malfois, Marc; Solano, Eduardo; Lim, Joohyun; Garzon-Manjon, Alba; Scheu, Christi NATURE CHEMISTRY 1755-4330 (2020) DOI / 10.1038/s41557-020-0548-7
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Article A Career in Catalysis: Odile Eisenstein Balcells, David; Clot, Eric; Macgregor, Stuart A.; Maseras, Feliu; Perrin, Lionel ACS CATALYSIS 2155-5435 (2019) DOI / 10.1021/acscatal.9b02498
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Article The Effect of Added Ligands on the Reactions of [Ni(COD)(dppf)] with Alkyl Halides: Halide Abstraction May Be Reversible Greaves, Megan E.; Ronson, Thomas O.; Maseras, Feliu; Nelson, David J. ORGANOMETALLICS 0276-7333 (2021) DOI / 10.1021/acs.organomet.1c00280 Hybrid, Green published, Green accepted
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Article Redefining the Mechanistic Scenario of Carbon-Sulfur Nucleophilic Coupling via High-Valent Cp*Co-IV Species Lopez-Resano, Sara; Martinez De Salinas, Sara; Garces-Pineda, Felipe A.; Moneo-Corcuera, Andrea; Galan-Mascaros, Jose Ramon; Maseras, Feliu; Perez-Temprano, Monica H. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2021) DOI / 10.1002/anie.202101390
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Article New Vistas in Transmetalation with Discrete "AgCF3" Species: Implications in Pd-Mediated Trifluoromethylation Reactions Martinez De Salinas, Sara; Mudarra, Angel L.; Benet-Buchholz, Jordi; Parella, Teodor; Maseras, Feliu; Perez-Temprano, Monica H. CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201802586 Green accepted
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Article Photosynthesis of a Dihydroimidazopyridine Chelate Shines Light on the Reactions of a Photoactivated Iron(III) Complex with O-2 Wegeberg, Christina; de Aguirre, Adiran; Maseras, Feliu; McKenzie, Christine J. INORGANIC CHEMISTRY 0020-1669 (2020) DOI / 10.1021/acs.inorgchem.0c02063
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Article A Domino Process toward Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative C(sp(3))-C(sp(3)) Bond Formation Guo, Wusheng; Kuniyil, Rositha; Enrique Gomez, Jose; Maseras, Feliu; Kleij, Arjan W. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2018) DOI / 10.1021/jacs.7b12608
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Article Exploring the Role of Coinage Metalates in Trifluoromethylation: A Combined Experimental and Theoretical Study Martinez De Salinas, Sara; Mudarra, Angel L.; Odena, Carlota; Martinez Belmonte, Marta; Benet-Buchholz, Jordi; Maseras, Feliu; Perez-Temprano, Monica H. CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2019) DOI / 10.1002/chem.201900496 Green accepted
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Article Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMenPh(3-n))(4)] Funes-Ardoiz, Ignacio; Nelson, David J.; Maseras, Feliu CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2017) DOI / 10.1002/chem.201702331 Hybrid, Green published, Green accepted
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Article Light-Driven Enantioselective Organocatalytic beta-Benzylation of Enals Dell'Amico, Luca; Fernandez-Alvarez, Victor M.; Maseras, Feliu; Melchiorre, Paolo ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2017) DOI / 10.1002/anie.201612159 Green published, Hybrid
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Article Two Copper-Carbenes from One Diazo Compound Alvarez, Maria; Besora, Maria; Molina, Francisco; Maseras, Feliu; Belderrain, Tomas R.; Perez, Pedro J. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2021) DOI / 10.1021/jacs.1c01483 Green published
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Article Understanding Ball Milling Mechanochemical Processes with DFT Calculations and Microkinetic Modeling Pladevall, Bruna S.; de Aguirre, Adiran; Maseras, Feliu CHEMSUSCHEM 1864-5631 (2021) DOI / 10.1002/cssc.202100497
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Article A Quantitative Model for Alkane Nucleophilicity Based on C-H Bond Structural/Topological Descriptors Besora, Maria; Olmos, Andrea; Gava, Riccardo; Noverges, Barbara; Asensio, Gregorio; Caballero, Ana; Maseras, Feliu; Perez, Pedro J. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2020) DOI / 10.1002/anie.201914386 Green submitted
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Article Unexpected Nickel Complex Speciation Unlocks Alternative Pathways for the Reactions of Alkyl Halides with dppf-Nickel(0) Greaves, Megan E.; Ronson, Thomas O.; Lloyd-Jones, Guy C.; Maseras, Feliu; Sproules, Stephen; Nelson, David J. ACS CATALYSIS 2155-5435 (2020) DOI / 10.1021/acscatal.0c02514 Hybrid, Green published, Green accepted
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Article Searching for Hidden Descriptors in the Metal-Ligand Bond through Statistical Analysis of Density Functional Theory (DFT) Results Lakuntza, Oier; Besora, Maria; Maseras, Feliu INORGANIC CHEMISTRY 0020-1669 (2018) DOI / 10.1021/acs.inorgchem.8b02372
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Article Catalytic Nitrene Transfer To Alkynes: A Novel and Versatile Route for the Synthesis of Sulfinamides and Isothiazoles Rodriguez, Manuel R.; Beltran, Alvaro; Mudarra, Angel L.; Alvarez, Eleuterio; Maseras, Feliu; Mar Diaz-Requejo, M.; Perez, Pedro J. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2017) DOI / 10.1002/anie.201705664 Green submitted
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Article Intermolecular Allene Functionalization by Silver-Nitrene Catalysis Rodriguez, Manuel R.; Besora, Maria; Molina, Francisco; Maseras, Feliu; Mar Diaz-Requejo, M.; Perez, Pedro J. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2020) DOI / 10.1021/jacs.0c04395 Green submitted
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Article The Challenge of Reproducing with Calculations Raw Experimental Kinetic Data for an Organic Reaction Perez-Soto, Raul; Besora, Maria; Maseras, Feliu ORGANIC LETTERS 1523-7060 (2020) DOI / 10.1021/acs.orglett.0c00367
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Article Measuring the Relative Reactivity of the Carbon-Hydrogen Bonds of Alkanes as Nucleophiles Olmos, Andrea; Gava, Riccardo; Noverges, Barbara; Bellezza, Delia; Jacob, Kane; Besora, Maria; Sameera, W. M. Chamil; Etienne, Michel; Maseras, Feliu; Asensio, Gregorio; Caballero, Ana; Perez, Pedro J. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2018) DOI / 10.1002/anie.201807448 Green submitted
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Editorial Material The role of computational results databases in accelerating the discovery of catalysts Bo, Carles; Maseras, Feliu; Lopez, Nuria NATURE CATALYSIS 2520-1158 (2018) DOI / 10.1038/s41929-018-0176-4 Green accepted
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Article Understanding the Binding Properties of N-heterocyclic Carbenes through BDE Matrix App Moran-Gonzalez, Lucia; Pedregal, Jaime Rodriguez-Guerra; Besora, Maria; Maseras, Feliu EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2021) DOI / 10.1002/ejic.202100932
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Article Calculation of Reaction Free Energies in Solution: A Comparison of Current Approaches Besora, Maria; Vidossich, Pietro; Lledos, Agusti; Ujaque, Gregori; Maseras, Feliu JOURNAL OF PHYSICAL CHEMISTRY A 1089-5639 (2018) DOI / 10.1021/acs.jpca.7b11580
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Article GARLEEK: Adding an extra flavor to ONIOM Rodriguez-Guerra Pedregal, Jaime; Funes-Ardoiz, Ignacio; Sciortino, Giuseppe; Sanchez-Aparicio, Jose-Emilio; Ujaque, Gregori; Lledos, Agusti; Marechal, Jean-Didie; Maseras, Feliu JOURNAL OF COMPUTATIONAL CHEMISTRY 0192-8651 (2019) DOI / 10.1002/jcc.25612
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Article Seeking the Optimal Descriptor for S(N)2 Reactions through Statistical Analysis of Density Functional Theory Results Moran-Gonzalez, Lucia; Besora, Maria; Maseras, Feliu JOURNAL OF ORGANIC CHEMISTRY (2021) DOI / 10.1021/acs.joc.1c02387
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Article Oxidative Coupling Mechanisms: Current State of Understanding Funes-Ardoiz, Ignacio; Maseras, Feliu ACS CATALYSIS 2155-5435 (2018) DOI / 10.1021/acscatal.7b02974 Hybrid
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Article Scope and Challenge of Computational Methods for Studying Mechanism and Reactivity in Homogeneous Catalysis Harvey, Jeremy N.; Himo, Fahmi; Maseras, Feliu; Perrin, Lionel ACS CATALYSIS 2155-5435 (2019) DOI / 10.1021/acscatal.9b01537
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Article Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines Maestre, Lourdes; Dorel, Ruth; Pablo, Oscar; Escofet, Imma; Sameera, W. M. C.; Alvarez, Eleuterio; Maseras, Feliu; Mar Diaz-Requejo, M.; Echavarren, Antonio M.; Perez, Pedro J. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2017) DOI / 10.1021/jacs.6b08219 Hybrid, Green accepted, Green submitted
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Article Copper-Catalyzed N-F Bond Activation for Uniform Intramolecular C-H Amination Yielding Pyrrolidines and Piperidines Bafaluy, Daniel; Maria Munoz-Molina, Jose; Funes-Ardoiz, Ignacio; Herold, Sebastian; de Aguirre, Adiran J.; Zhang, Hongwei; Maseras, Feliu; Belderrain, Tomas R.; Perez, Pedro J.; Muniz, Kilian ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2019) DOI / 10.1002/anie.201902716 Green submitted
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Article Palladium-Catalyzed Aerobic Homocoupling of Alkynes: Full Mechanistic Characterization of a More Complex Oxidase-Type Behavior Toledo, Alberto; Funes-Ardoiz, Ignacio; Maseras, Feliu; Albeniz, Ana C. ACS CATALYSIS 2155-5435 (2018) DOI / 10.1021/acscatal.8b01540 Green submitted
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Article Enantioselective Synthesis of Aminodiols by Sequential Rhodium-Catalysed Oxyamination/Kinetic Resolution: Expanding the Substrate Scope of Amidine-Based Catalysis Guasch, Joan; Gimenez-Nueno, Irene; Funes-Ardoiz, Ignacio; Bernus, Miguel; Matheu, M. Isabel; Maseras, Feliu; Castillon, Sergio; Diaz, Yolanda CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201705670
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Article Computational Characterization of the Mechanism for the Oxidative Coupling of Benzoic Acid and Alkynes by Rhodium/Copper and Rhodium/Silver Systems Funes-Ardoiz, Ignacio; Maseras, Feliu CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201800627
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Article Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(O) complexes and aryl halides Nelson, David J.; Maseras, Feliu CHEMICAL COMMUNICATIONS 1359-7345 (2018) DOI / 10.1039/c8cc06379f Green accepted
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Article Four Oxidation States in a Single Photoredox Nickel-Based Catalytic Cycle: A Computational Study de Aguirre, Adiran; Funes-Ardoiz, Ignacio; Maseras, Feliu ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2019) DOI / 10.1002/anie.201814233
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Article The diverse mechanisms for the oxidative addition of C-Br bonds to Pd(PR3) and Pd(PR3)(2) complexes Besora, Maria; Maseras, Feliu DALTON TRANSACTIONS 1477-9226 (2019) DOI / 10.1039/c9dt03155c
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Article Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomas R.; Carmen Nicasio, M. ACS CATALYSIS 2155-5435 (2018) DOI / 10.1021/acscatal.8b00856
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Review Microkinetic modeling in homogeneous catalysis Besora, Maria; Maseras, Feliu WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 1759-0876 (2018) DOI / 10.1002/wcms.1372
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Article Mechanistic Study on the Asymmetric Synthesis of the Wieland-Miescher Ketone and Analogs Liu, Chunhui; Bradshaw, Ben; Maseras, Feliu; Bonjoch, Josep; Besora, Maria CHEMCATCHEM 1867-3880 (2019) DOI / 10.1002/cctc.201900543 Green accepted
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Article Accelerated Ru-Cu Trinuclear Cooperative C-H Bond Functionalization of Carbazoles: A Kinetic and Computational Investigation Jones, Alexander W.; Rank, Christian K.; Becker, Yanik; Malchau, Christian; Funes-Ardoiz, Ignacio; Maseras, Feliu; Patureau, Frederic W. CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201802886 Green published, Hybrid
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Article Caesium fluoride-mediated hydrocarboxylation of alkenes and allenes: scope and mechanistic insights Gevorgyan, Ashot; Obst, Marc F.; Guttormsen, Yngve; Maseras, Feliu; Hopmann, Kathrin H.; Bayer, Annette CHEMICAL SCIENCE 2041-6520 (2019) DOI / 10.1039/c9sc02467k Gold DOAJ, Green published
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Article Enantioselective Synthesis of 3-Heterosubstituted-2-amino-1-ols by Sequential Metal-Free Diene Aziridination/Kinetic Resolution Gimenez-Nueno, Irene; Guasch, Joan; Funes-Ardoiz, Ignacio; Maseras, Feliu; Matheu, M. Isabel; Castillon, Sergio; Diaz, Yolanda CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2019) DOI / 10.1002/chem.201902734
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Article Mechanistic Studies on Gold-Catalyzed Direct Arene C-H Bond Functionalization by Carbene Insertion: The Coinage-Metal Effect Fructos, Manuel R.; Besora, Maria; Braga, Ataualpa A. C.; Mar Diaz-Requejo, M.; Maseras, Feliu; Perez, Pedro J. ORGANOMETALLICS 0276-7333 (2017) DOI / 10.1021/acs.organomet.6b00604 Green submitted
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Article Photoinduced O-2-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex Wegeberg, Christina; Fernandez-Alvarez, Victor M.; de Aguirre, Adiran; Frandsen, Cathrine; Browne, Wesley R.; Maseras, Feliu; McKenzie, Christine J. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2018) DOI / 10.1021/jacs.8b07455 Green published
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Article The Role of Electron-Donor Substituents in the Family of OPBAN-Cu Water Oxidation Catalysts: Effect on the Degradation Pathways and Efficiency de Aguirre, Adiran; Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Maseras, Feliu EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 1434-1948 (2019) DOI / 10.1002/ejic.201801534
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Article On the Use of Thermodynamic Cycles for the Calculation of Standard Potentials for the Oxidation of Solid Metals in Solution Funes-Ardoiz, Ignacio; Maseras, Feliu CHEMPHYSCHEM 1439-4235 (2019) DOI / 10.1002/cphc.201800877
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Article The Acetate Proton Shuttle between Mutually Trans Ligands de Aguirre, Adiran; Diez-Gonzalez, Silvia; Maseras, Feliu; Martin, Marta; Sola, Eduardo ORGANOMETALLICS 0276-7333 (2018) DOI / 10.1021/acs.organomet.8b00417 Green submitted
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Article Expanding the Range of Force Fields Available for ONIOM Calculations: The SICTWO Interface Sameera, W. M. C.; Maseras, Feliu JOURNAL OF CHEMICAL INFORMATION AND MODELING 1549-9596 (2018) DOI / 10.1021/acs.jcim.8b00332
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Article Computational Description of a Huisgen Cycloaddition Inside a Self-Assembled Nanocapsule Goehry, Charles; Besora, Maria; Maseras, Feliu EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 1434-193X (2018) DOI / 10.1002/ejoc.201800179
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Article Computational Characterization of Single-Electron Transfer Steps in Water Oxidation de Aguirre, Adiran; Funes-Ardoiz, Ignacio; Maseras, Feliu INORGANICS (2019) DOI / 10.3390/inorganics7030032 Green published, Green submitted, Gold
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Article Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture Elena de Orbe, M.; Amenos, Laura; Kirillova, Mania S.; Wang, Yahui; Lopez-Carrillo, Veronica; Maseras, Feliu; Echavarren, Antonio M. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2017) DOI / 10.1021/jacs.7b03005 Green published, Green accepted, Gold other
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Article Copper-Catalyzed Borylative Ring Closing C-C Coupling toward Spiro- and Dispiroheterocycles Royes, Jordi; Ni, Shaofei; Farre, Albert; La Cascia, Enrico; Carbo, Jorge J.; Cuenca, Ana B.; Maseras, Feliu; Fernandez, Elena ACS CATALYSIS 2155-5435 (2018) DOI / 10.1021/acscatal.8b00257
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Article Single Electron Transfer Steps in Water Oxidation Catalysis. Redefining the Mechanistic Scenario Funes-Ardoiz, Ignacio; Garrido-Barros, Pablo; Llobet, Antoni; Maseras, Feliu ACS CATALYSIS 2155-5435 (2017) DOI / 10.1021/acscatal.6b03253 Green accepted
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Article An Expanded SET Model Associated with the Functional Hindrance Dominates the Amide-Directed Distal sp(3) C-H Functionalization Wang, Juanjuan; Fang, Wei-Hai; Qu, Ling-Bo; Shen, Lin; Maseras, Feliu; Chen, Xuebo JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021) DOI / 10.1021/jacs.1c07983

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