| 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 | 854 | 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 | 203 | 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 | 140 | 2014 |
| 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 | 139 | 2016 |
| 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 Nunez-Zarur, A Comas-Vives, C Coperet Inorganic chemistry 54 (11), 5065-5078, 2015 | 129 | 2015 |
| Differences in the activation processes of phosphine-containing and Grubbs–Hoveyda-type alkene metathesis catalysts F Nunez-Zarur, X Solans-Monfort, L Rodrı́guez-Santiago, M Sodupe Organometallics 31 (11), 4203-4215, 2012 | 99 | 2012 |
| Local structures and heterogeneity of silica-supported M (III) sites evidenced by EPR, IR, NMR, and luminescence spectroscopies MF Delley, G Lapadula, F Núñez-Zarur, A Comas-Vives, V Kalendra, ... Journal of the American Chemical Society 139 (26), 8855-8867, 2017 | 69 | 2017 |
| 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 | 67 | 2011 |
| 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 | 60 | 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 | 57 | 2017 |
| Exo/endo Selectivity of the Ring-Closing Enyne Methathesis Catalyzed by Second Generation Ru-Based Catalysts. Influence of Reactant Substituents F Nunez-Zarur, X Solans-Monfort, L Rodriguez-Santiago, M Sodupe Acs Catalysis 3 (2), 206-218, 2013 | 37 | 2013 |
| 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 | 36 | 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 | 33 | 2008 |
| 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 | 28 | 2017 |
| 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 | 27 | 2008 |
| 75. et al. 2014. NMR signatures of the active sites in Sn-β zeolite P Wolf, M Valla, AJ Rossini, A Comas-Vives, F Núñez-Zarur Angew. Chem 126, 10343-47, 0 | 27 | |
| 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 | 25 | 2012 |
| Diels‐Alder reaction mechanisms of substituted chiral anthracene: A theoretical study based on the reaction force and reaction electronic flux JP Hernández Mancera, F Núñez‐Zarur, S Gutiérrez‐Oliva, A Toro‐Labbé, ... Journal of computational chemistry 41 (23), 2022-2032, 2020 | 19 | 2020 |
| Thermodynamics and intermolecular interactions during the insertion of anionic naproxen into model cell membranes N Rojas-Valencia, S Gomez, F Nunez-Zarur, C Cappelli, C Hadad, ... The Journal of Physical Chemistry B 125 (36), 10383-10391, 2021 | 16 | 2021 |
| 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 | 16 | 2017 |
Aleix Comas-VivesTechnische Universität Wien / Universitat Autònoma de BarcelonaVerified email at tuwien.ac.at
