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Title Issue Date
Need for Rationally Designed SnWO4 Photo(electro)catalysts to Overcome the Performance Limitations for O2 and H2 Evolution Reactions Azofra, Luis Miguel ; Cavallo, Luigi; Basset, Jean-Marie; Harb, Moussab Issued date: 2021 DOI: 10.1021/acs.jpcc.0c11614 Source: The Journal of Physical Chemistrt C [ISSN 1932-7447], (Abril 2021) SJR: 1,401 - Q1 JCR: 4,126 - Q2 SCIE Artículo
Unraveling the Causes of the Instability of Au n(SR)x Nanoclusters on Au(111) Carro, Pilar; Azofra, Luis Miguel ; Albrecht, Tim; Salvarezza, Roberto C.; Pensa, Evangelina Issued date: 2021 DOI: 10.1021/acs.chemmater.1c00816 Source: Chemistry of Materials [ISSN 0897-4756], v. 33 (9), p. 3428–3435, (Abril 2021) SJR: 3,741 - Q1 JCR: 9,811 - Q1 SCIE Artículo
Towards mild conditions by predictive catalysis via sterics in the Ru-catalyzed hydrogenation of thioesters Tomasini, Michele; Duran, Josep; Simon, Silvia; Azofra, Luis Miguel ; Poater, Albert Issued date: 2021 DOI: 10.1016/j.mcat.2021.111692 Source: Molecular Catalysis [ISSN 2468-8231], v. 510, 111692 (junio 2021) SJR: 0,966 - Q1 JCR: 5,062 - Q2 SCIE Artículo
In silico design of novel NRR electrocatalysts: cobalt–molybdenum alloys Castellano-Varona, Blanca; Harb, Moussab; Araña Mesa, Francisco Javier ; Cavallo, Luigi; Azofra Mesa, Luis Miguel Issued date: 2020 DOI: 10.1039/D0CC05921H Source: Chemical communications [ISSN 1359-7345], v. 56, p. 13343-13346 SJR: 1,837 - Q1 JCR: 6,222 - Q1 SCIE Artículo
σ/π Plasticity of NHCs on the Ruthenium–Phosphine and Ruthenium═Ylidene Bonds in Olefin Metathesis Catalysts Azofra Mesa, Luis Miguel ; Vummaleti, Sai V. C.; Zhang, Ziyun; Poater, Albert; Cavallo, Luigi Issued date: 2020 DOI: 10.1021/acs.organomet.0c00536 Source: Organometallics [ISSN 0276-7333], v. 39 (22), p. 3972–3982 SJR: 1,231 - Q1 JCR: 3,876 - Q1 SCIE Artículo
Conversion of racemic alcohols to optically pure amine precursors enabled by catalyst dynamic kinetic resolution: experiment and computation Azofra Mesa, Luis Miguel ; Tran, Mai Anh; Zubar, Viktoriia; Cavallo, Luigi; Rueping, Magnus, et al Issued date: 2020 DOI: 10.1039/d0cc02881a Source: Chemical communications [EISSN 1364-548X],v. 56 (64), p. 9094-9097, (Agosto 2020) SJR: 1,837 - Q1 JCR: 6,222 - Q1 SCIE Artículo
A conceptual DFT study of phosphonate dimers: dianions supported by H-Bonds Azofra Mesa, Luis Miguel ; Elguero, José; Alkorta, Ibon Issued date: 2020 DOI: 10.1021/acs.jpca.9b10681 Source: The journal of physical chemistry. A [ISSN 1520-5215], v. 124 (11), p. 2207-2214 SJR: 0,756 - Q2 JCR: 2,781 - Q2 SCIE Artículo
Liquefied Sunshine: Transforming Renewables into Fertilizers and Energy Carriers with Electromaterials MacFarlane, Douglas R.; Choi, Jaecheol; Suryanto, Bryan H. R.; Jalili, Rouhollah; Chatti, Manjunath, et al Issued date: 2020 DOI: 10.1002/adma.201904804 Source: Advanced Materials [ISSN 0935-9648], vol. 32(18) SJR: 10,707 - Q1 JCR: 30,849 - Q1 SCIE Artículo
Role of Oxidized Mo Species on the Active Surface of Ni–Mo Electrocatalysts for Hydrogen Evolution under Alkaline Conditions Bau, Jeremy A.; Kozlov, Sergey M.; Azofra Mesa, Luis Miguel ; Ould-Chikh, Samy; Emwas, Abdul-Hamid, et al Issued date: 2020 DOI: 10.1021/acscatal.0c02743 Source: ACS Catalysis [EISSN 2155-5435], v 10 (21), p. 12858-12866, (Enero 2020) SJR: 4,898 - Q1 JCR: 13,084 - Q1 SCIE Artículo
Manganese-Catalyzed Regioselective Dehydrogenative C- versus N-Alkylation Enabled by a Solvent Switch: Experiment and Computation Borghs, Jannik C.; Zubar, Viktoriia; Azofra Mesa, Luis Miguel ; Sklyaruk, Jan; Rueping, Magnus Issued date: 2020 DOI: 10.1021/acs.orglett.0c01270 Source: Organic Letters [ISSN 1523-7060], v. 22 (11), p. 4222–4227 (Enero 2020) SJR: 1,94 - Q1 JCR: 6,005 - Q1 SCIE Artículo
Stabilisation of dianion dimers trapped inside cyanostar macrocycles Azofra Mesa, Luis Miguel ; Elguero, José; Alkorta, Ibon Issued date: 2020 DOI: 10.1039/D0CP01321H Source: Physical Chemistry Chemical Physics [EISSN 1463-9084], v. 22 (20), p. 11348-11353, (Mayo 2020) SJR: 1,053 - Q1 JCR: 3,676 - Q1 SCIE Artículo
Shedding Light on the Interfacial Structure of Low-Coverage Alkanethiol Lattices Pensa, Evangelina; Azofra Mesa, Luis Miguel ; Albrecht, Tim; Salvarezza, Roberto C.; Carro, Pilar Issued date: 2020 DOI: 10.1021/acs.jpcc.0c07613 Source: Journal of Physical Chemistry C [ISSN 1932-7447], v.124 (49), p. 26748–26758 (Noviembre 2020) SJR: 1,401 - Q1 JCR: 4,126 - Q2 SCIE Artículo
Regression analysis of properties of [Au(IPr)(CHR2)] complexes Veenboer, Richard M. P.; Azofra Mesa, Luis Miguel ; Gasperini, Danila; Collado, Alba; Cordes, David B., et al Issued date: 2019 DOI: 10.1039/c9dt00841a Source: Dalton Transactions[ISSN 1477-9226],v. 48 (22), p. 7693-7703 SJR: 1,048 - Q1 JCR: 4,174 - Q1 SCIE Artículo
Quantifying electronic similarities between NHC-gold(i) complexes and their isolobal imidazolium precursors Azofra Mesa, Luis Miguel ; Veenboer, Richard M. P.; Falivene, Laura; Vummaleti, Sai V. C.; Poater, Albert, et al Issued date: 2019 DOI: 10.1039/c9cp02844g Source: Physical Chemistry Chemical Physics[ISSN 1463-9076],v. 21 (28), p. 15615-15622 SJR: 1,143 - Q1 JCR: 3,43 - Q1 SCIE Artículo
Hydrogen Evolution in [NiFe] Hydrogenases: A Case of Heterolytic Approach between Proton and Hydride Qiu, Siyao; Azofra Mesa, Luis Miguel ; Macfarlane, Douglas R.; Sun, Chenghua Issued date: 2019 DOI: 10.1021/acs.inorgchem.8b02812 Source: Inorganic Chemistry [ISSN 0020-1669], v. 58, 5, p. 2979-2986 SJR: 1,349 - Q1 JCR: 4,825 - Q1 SCIE Artículo
Manganese‐Catalyzed Multicomponent Synthesis of Pyrroles through Acceptorless Dehydrogenation Hydrogen Autotransfer Catalysis: Experiment and Computation Borghs, Jannik C.; Azofra Mesa, Luis Miguel ; Biberger, Tobias; Linnenberg, Oliver; Cavallo, Luigi, et al Issued date: 2019 DOI: 10.1002/cssc.201802416 Source: ChemSusChem [ISSN 1864-5631], v. 12, p. 3083-3088, Special Issue:Sustainable Organic Synthesis (Julio 2019) SJR: 2,374 - Q1 JCR: 7,962 - Q1 SCIE Artículo
Corrigendum to: Single-Site Molybdenum on Solid Support Materials for Catalytic Hydrogenation of N 2 -into-NH 3 Azofra Mesa, Luis Miguel ; Morlanés, Natalia; Poater, Albert; Samantaray, Manoja K.; Vidjayacoumar, Balamurugan, et al Issued date: 2019 DOI: 10.1002/anie.201903042 Source: Angewandte Chemie - International Edition [ISSN 1433-7851], v. 58(20), p. 6476-6476 SJR: 5,438 - Q1 JCR: 12,959 - Q1 SCIE Artículo
MoS2 Polymorphic Engineering Enhances Selectivity in the Electrochemical Reduction of Nitrogen to Ammonia Suryanto, Bryan H. R.; Wang, Dabin; Azofra Mesa, Luis Miguel ; Harb, Moussab; Cavallo, Luigi, et al Issued date: 2019 DOI: 10.1021/acsenergylett.8b02257 Source: ACS Energy Letters [ISSN 2380-8195], v. 4, p. 430-435 SJR: 8,057 - Q1 JCR: 19,003 - Q1 SCIE Artículo
Unravelling the reaction mechanism for the Claisen-Tishchenko condensation catalysed by Mn(I)-PNN complexes: a DFT study Azofra Mesa, Luis Miguel ; Cavallo, Luigi Issued date: 2019 DOI: 10.1007/s00214-019-2449-7 Source: Theoretical Chemistry Accounts[ISSN 1432-881X],v. 138 (5) SJR: 0,4 - Q3 JCR: 1,498 - Q4 SCIE Artículo
Diastereoselective diazenyl formation: the key for manganese-catalysed alcohol conversion into (E)-alkenes Azofra Mesa, Luis Miguel ; Poater, Albert Issued date: 2019 DOI: 10.1039/c9dt03379c Source: Dalton Transactions [ISSN 1477-9226], v. 48 (37), p. 14122-14127 SJR: 1,048 - Q1 JCR: 4,174 - Q1 SCIE Artículo

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