| Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform M Álvarez-Moreno, C de Graaf, N Lopez, F Maseras, JM Poblet, C Bo Journal of chemical information and modeling 55 (1), 95-103, 2015 | 565 | 2015 |
| Structure, properties and reactivity of polyoxometalates: a theoretical perspective X López, JJ Carbó, C Bo, JM Poblet Chemical Society Reviews 41 (22), 7537-7571, 2012 | 542 | 2012 |
| Polyoxometalate electrocatalysts based on earth-abundant metals for efficient water oxidation in acidic media M Blasco-Ahicart, J Soriano-López, JJ Carbó, JM Poblet, ... Nature Chemistry 10 (1), 24-30, 2018 | 438 | 2018 |
| Endohedral metallofullerenes: a unique host–guest association A Rodríguez-Fortea, AL Balch, JM Poblet Chemical Society Reviews 40 (7), 3551-3563, 2011 | 404 | 2011 |
| Design and fabrication of memory devices based on nanoscale polyoxometalate clusters C Busche, L Vila-Nadal, J Yan, HN Miras, DL Long, VP Georgiev, ... Nature 515 (7528), 545-549, 2014 | 348 | 2014 |
| Electronic properties of polyoxometalates: Electron and proton affinity of mixed-addenda Keggin and Wells− Dawson anions X López, C Bo, JM Poblet Journal of the American Chemical Society 124 (42), 12574-12582, 2002 | 325 | 2002 |
| Ab initio and DFT modelling of complex materials: towards the understanding of electronic and magnetic properties of polyoxometalates JM Poblet, X López, C Bo Chemical Society Reviews 32 (5), 297-308, 2003 | 322 | 2003 |
| Electronic and magnetic properties of α-keggin anions: A DFT Study of [XM12O40] n-,(M= W, Mo; X= AlIII, SiIV, PV, FeIII, CoII, CoIII) and [SiM11VO40] m-(M= Mo and W) JM Maestre, X Lopez, C Bo, JM Poblet, N Casan-Pastor Journal of the American Chemical Society 123 (16), 3749-3758, 2001 | 272 | 2001 |
| Structure, Reactivity, and Growth Pathways of Metallocarbohedrenes M8C12 and Transition Metal/Carbon Clusters and Nanocrystals: A Challenge to … MM Rohmer, M Bénard, JM Poblet Chemical Reviews 100 (2), 495-542, 2000 | 254 | 2000 |
| Bonding within the Endohedral Fullerenes Sc3N@ C78 and Sc3N@ C80 as Determined by Density Functional Calculations and Reexamination of the Crystal Structure of {Sc3N@ C78}⊙ Co … JM Campanera, C Bo, MM Olmstead, AL Balch, JM Poblet The Journal of Physical Chemistry A 106 (51), 12356-12364, 2002 | 243 | 2002 |
| Electronic properties of polyoxometalates: A DFT study of α/β-[XM12O40] n-relative stability (M= W, Mo and X a main group element) X Lopez, JM Maestre, C Bo, JM Poblet Journal of the American Chemical Society 123 (39), 9571-9576, 2001 | 243 | 2001 |
| General rule for the stabilization of fullerene cages encapsulating trimetallic nitride templates JM Campanera, C Bo, JM Poblet ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 44 (44), 7230, 2005 | 231 | 2005 |
| The Smallest Stable Fullerene, M@C28 (M = Ti, Zr, U): Stabilization and Growth from Carbon Vapor PW Dunk, NK Kaiser, M Mulet-Gas, A Rodríguez-Fortea, JM Poblet, ... Journal of the American Chemical Society 134 (22), 9380-9389, 2012 | 209 | 2012 |
| Mechanistic Insights into Alkene Epoxidation with H2O2 by Ti- and other TM-Containing Polyoxometalates: Role of the Metal Nature and Coordination Environment NS Antonova, JJ Carbo, U Kortz, OA Kholdeeva, JM Poblet Journal of the American Chemical Society 132 (21), 7488-7497, 2010 | 190 | 2010 |
| Polyoxometalates with internal cavities: Redox activity, basicity, and cation encapsulation in [X n+ P5W30O110](15-n)-Preyssler complexes, with X= Na+, Ca2+, Y3+, La3+, Ce3+ … JA Fernández, X López, C Bo, C de Graaf, EJ Baerends, JM Poblet Journal of the American Chemical Society 129 (40), 12244-12253, 2007 | 174 | 2007 |
| The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes A Rodríguez-Fortea, N Alegret, AL Balch, JM Poblet Nature Chemistry 2 (11), 955-961, 2010 | 170 | 2010 |
| “Open Rather than Closed” Malonate Methano-Fullerene Derivatives. The Formation of Methanofulleroid Adducts of Y3N@C80 O Lukoyanova, CM Cardona, J Rivera, LZ Lugo-Morales, CJ Chancellor, ... Journal of the American Chemical Society 129 (34), 10423-10430, 2007 | 141 | 2007 |
| Cobalt polyoxometalates as heterogeneous water oxidation catalysts J Soriano-Lopez, S Goberna-Ferron, L Vigara, JJ Carbo, JM Poblet, ... Inorganic chemistry 52 (9), 4753-4755, 2013 | 139 | 2013 |
| A seven atom cluster in a carbon cage, the crystallographically determined structure of Sc 4 (μ 3-O) 3@ I h-C 80 BQ Mercado, MM Olmstead, CM Beavers, ML Easterling, S Stevenson, ... Chemical Communications 46 (2), 279-281, 2010 | 139 | 2010 |
| Relative basicities of the oxygen sites in [V10O28] 6-. An analysis of the ab initio determined distributions of the electrostatic potential and of the Laplacian of charge density JY Kempf, MM Rohmer, JM Poblet, C Bo, M Benard Journal of the American Chemical Society 114 (4), 1136-1146, 1992 | 139 | 1992 |
Antonio Rodriguez-ForteaProfessor of Physical Chemistry, Universitat Rovira i VirgiliAdresse e-mail validée de urv.cat