Computational study with DFT and kinetic models on the mechanism of photoinitiated aromatic perfluoroalkylations VM Fernández-Alvarez, M Nappi, P Melchiorre, F Maseras Organic letters 17 (11), 2676-2679, 2015 | 63 | 2015 |
Light‐Driven Enantioselective Organocatalytic β‐Benzylation of Enals L Dell'Amico, VM Fernández‐Alvarez, F Maseras, P Melchiorre Angewandte Chemie 129 (12), 3352-3356, 2017 | 61 | 2017 |
Pd‐Catalysed Mono‐and Dicarbonylation of Aryl Iodides: Insights into the Mechanism and the Selectivity VM Fernández‐Alvarez, V De La Fuente, C Godard, S Castillón, C Claver, ... Chemistry–A European Journal 20 (35), 10982-10989, 2014 | 25 | 2014 |
Computational characterization of the mechanism for the light-driven catalytic trichloromethylation of acylpyridines VM Fernandez-Alvarez, F Maseras Organic & Biomolecular Chemistry 15 (40), 8641-8647, 2017 | 21 | 2017 |
A DFT-based mechanistic proposal for the light-driven insertion of dioxygen into Pt (II)–C bonds VM Fernández-Alvarez, SKY Ho, GJP Britovsek, F Maseras Chemical science 9 (22), 5039-5046, 2018 | 18 | 2018 |
Interface properties of the partially oxidized Pt (111) surface using hybrid DFT–solvation models VM Fernandez-Alvarez, MH Eikerling ACS applied materials & interfaces 11 (46), 43774-43780, 2019 | 17 | 2019 |
Photoinduced O2-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex C Wegeberg, VM Fernández-Alvarez, A De Aguirre, C Frandsen, ... Journal of the American Chemical Society 140 (43), 14150-14160, 2018 | 11 | 2018 |
Molecular Dynamics Study of Reaction Conditions at Active Catalyst-Ionomer Interfaces in Polymer Electrolyte Fuel Cells VM Fernández-Alvarez, K Malek, MH Eikerling, A Young, M Dutta, ... Journal of The Electrochemical Society 169 (2), 024506, 2022 | 3 | 2022 |
Computational Modeling of Selected Photoactivated Processes A de Aguirre, VM Fernandez-Alvarez, F Maseras New Directions in the Modeling of Organometallic Reactions, 131-152, 2020 | 2 | 2020 |
Impact of Surface Hydrophilicity on Structure and Transport at the Catalyst-Ionomer Interface: Insights from Molecular Dynamics VM Fernandez Alvarez, K Malek, M Eikerling, A Young, M Dutta, E Kjeang Electrochemical Society Meeting Abstracts 240, 1182-1182, 2021 | | 2021 |
A computational approach to the mechanism of light-driven reactions in solution VM Fernández Alvarez Universitat Rovira i Virgili, 0 | | |