| Surface organometallic and coordination chemistry toward single-site heterogeneous catalysts: strategies, methods, structures, and activities C Coperet, A Comas-Vives, MP Conley, DP Estes, A Fedorov, V Mougel, ... Chemical reviews 116 (2), 323-421, 2016 | 426 | 2016 |
| NMR Signatures of the Active Sites in Sn‐β Zeolite P Wolf, M Valla, AJ Rossini, A Comas‐Vives, F Núñez‐Zarur, B Malaman, ... Angewandte Chemie 126 (38), 10343-10347, 2014 | 153 | 2014 |
| Proton transfers are key elementary steps in ethylene polymerization on isolated chromium (III) silicates MF Delley, F Núñez-Zarur, MP Conley, A Comas-Vives, G Siddiqi, ... Proceedings of the National Academy of Sciences 111 (32), 11624-11629, 2014 | 106 | 2014 |
| Heterolytic Activation of C–H Bonds on CrIII–O Surface Sites Is a Key Step in Catalytic Polymerization of Ethylene and Dehydrogenation of Propane MP Conley, MF Delley, F Núñez-Zarur, A Comas-Vives, C Copéret Inorganic chemistry 54 (11), 5065-5078, 2015 | 80 | 2015 |
| Differences in the activation processes of phosphine-containing and Grubbs–Hoveyda-type alkene metathesis catalysts F Nuñez-Zarur, X Solans-Monfort, L Rodrı́guez-Santiago, M Sodupe Organometallics 31 (11), 4203-4215, 2012 | 79 | 2012 |
| Correlating synthetic methods, morphology, atomic-level structure, and catalytic activity of Sn-β catalysts P Wolf, M Valla, F Nunez-Zarur, A Comas-Vives, AJ Rossini, C Firth, ... Acs Catalysis 6 (7), 4047-4063, 2016 | 77 | 2016 |
| Mechanistic Insights into Ring‐Closing Enyne Metathesis with the Second‐Generation Grubbs–Hoveyda Catalyst: A DFT Study F Nuñez‐Zarur, X Solans‐Monfort, L Rodríguez‐Santiago, R Pleixats, ... Chemistry–A European Journal 17 (27), 7506-7520, 2011 | 59 | 2011 |
| Local structures and heterogeneity of silica-supported m (iii) sites evidenced by epr, ir, NMR, and luminescence spectroscopies MF Delley, G Lapadula, F Nunez-Zarur, A Comas-Vives, V Kalendra, ... Journal of the American Chemical Society 139 (26), 8855-8867, 2017 | 44 | 2017 |
| Strain effect and dual initiation pathway in CrIII/SiO2 polymerization catalysts from amorphous periodic models L Floryan, AP Borosy, F Núñez-Zarur, A Comas-Vives, C Copéret Journal of Catalysis 346, 50-56, 2017 | 32 | 2017 |
| X–H bond activation on Cr (III), O Sites (X= R, H): key steps in dehydrogenation and hydrogenation processes MF Delley, MC Silaghi, F Nuñez-Zarur, KV Kovtunov, OG Salnikov, ... Organometallics 36 (1), 234-244, 2017 | 31 | 2017 |
| Exo/endo Selectivity of the Ring-Closing Enyne Methathesis Catalyzed by Second Generation Ru-Based Catalysts. Influence of Reactant Substituents F Nuñez-Zarur, X Solans-Monfort, L Rodríguez-Santiago, M Sodupe Acs Catalysis 3 (2), 206-218, 2013 | 28 | 2013 |
| Electronic structure and reactivity analysis for a set of Zn-chelates with substituted 8-hydroxyquinoline ligands and their application in OLED R Vivas-Reyes, F Núñez-Zarur, E Martı Organic electronics 9 (5), 625-634, 2008 | 28 | 2008 |
| Ab initio study of luminescent substituted 8-hydroxyquinoline metal complexes with application in organic light emitting diodes F Núñez-Zarur, R Vivas-Reyes Journal of Molecular Structure: THEOCHEM 850 (1-3), 127-134, 2008 | 25 | 2008 |
| DFT Study on the Recovery of Hoveyda–Grubbs‐Type Catalyst Precursors in Enyne and Diene Ring‐Closing Metathesis F Núñez‐Zarur, X Solans‐Monfort, R Pleixats, L Rodríguez‐Santiago, ... Chemistry–A European Journal 19 (43), 14553-14565, 2013 | 23 | 2013 |
| Olefin polymerization on Cr (III)/SiO2: Mechanistic insights from the differences in reactivity between ethene and propene MF Delley, CS Praveen, AP Borosy, F Núñez-Zarur, A Comas-Vives, ... Journal of catalysis 354, 223-230, 2017 | 20 | 2017 |
| On the electronic structure of second generation Hoveyda–Grubbs alkene metathesis precursors F Nuñez-Zarur, J Poater, L Rodríguez-Santiago, X Solans-Monfort, M Solà, ... Computational and Theoretical Chemistry 996, 57-67, 2012 | 19 | 2012 |
| Density functional study on electronic structures and reactivity in methyl‐substituted chelates used in organic light‐emitting diodes F Núñez‐Zarur, E Arguello, R Vivas‐Reyes International Journal of Quantum Chemistry 110 (9), 1622-1636, 2010 | 13 | 2010 |
| Mechanistic Insights into Alkane Metathesis Catalyzed by Silica-Supported Tantalum Hydrides: A DFT Study F Nunez-Zarur, X Solans-Monfort, A Restrepo Inorganic chemistry 56 (17), 10458-10473, 2017 | 9 | 2017 |
| Reply to Peters et al.: Proton transfers are plausible initiation and termination steps on Cr (III) sites in ethylene polymerization MF Delley, F Nuñez-Zarur, MP Conley, A Comas-Vives, G Siddiqi, ... Proceedings of the National Academy of Sciences 112 (31), E4162-E4163, 2015 | 9 | 2015 |
| Reactivity of a Silica-Supported Mo Alkylidene Catalyst toward Alkanes: A DFT Study on the Metathesis of Propane E Díaz, A Restrepo, F Núñez-Zarur Organometallics 37 (13), 2023-2036, 2018 | 5 | 2018 |
Aleix Comas-VivesUniversitat Autònoma de BarcelonaVerified email at uab.cat
