| 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 |
| A DFT Study on the Mechanism of the Cycloaddition Reaction of CO2 to Epoxides Catalyzed by Zn(Salphen) Complexes F Castro‐Gómez, G Salassa, AW Kleij, C Bo Chemistry–A European Journal 19 (20), 6289-6298, 2013 | 351 | 2013 |
| Electronic effect on rhodium diphosphine catalyzed hydroformylation: The bite angle effect reconsidered LA van der Veen, MDK Boele, FR Bregman, PCJ Kamer, ... Journal of the American Chemical Society 120 (45), 11616-11626, 1998 | 340 | 1998 |
| 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 |
| Transition‐metal‐free diboration reaction by activation of diboron compounds with simple Lewis bases A Bonet, C Pubill‐Ulldemolins, C Bo, H Gulyás, E Fernández Angewandte Chemie International Edition 50 (31), 7158-7161, 2011 | 296 | 2011 |
| 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 |
| 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 |
| Water oxidation at a tetraruthenate core stabilized by polyoxometalate ligands: experimental and computational evidence to trace the competent intermediates A Sartorel, P Miró, E Salvadori, S Romain, M Carraro, G Scorrano, ... Journal of the American Chemical Society 131 (44), 16051-16053, 2009 | 225 | 2009 |
| Highly Active Aluminium Catalysts for the Formation of Organic Carbonates from CO2 and Oxiranes CJ Whiteoak, N Kielland, V Laserna, F Castro‐Gómez, E Martin, ... Chemistry–A European Journal 20 (8), 2264-2275, 2014 | 202 | 2014 |
| A high performance grid-based algorithm for computing QTAIM properties JI Rodríguez, RFW Bader, PW Ayers, C Michel, AW Götz, C Bo Chemical Physics Letters 472 (1-3), 149-152, 2009 | 183 | 2009 |
| 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 |
| Unraveling the origin of regioselectivity in rhodium diphosphine catalyzed hydroformylation. A DFT QM/MM study JJ Carbó, F Maseras, C Bo, PWNM van Leeuwen Journal of the American Chemical Society 123 (31), 7630-7637, 2001 | 170 | 2001 |
| Activation of diboron reagents with Brønsted bases and alcohols: an experimental and theoretical perspective of the organocatalytic boron conjugate addition reaction C Pubill‐Ulldemolins, A Bonet, C Bo, H Gulyás, E Fernández Chemistry–A European Journal 18 (4), 1121-1126, 2012 | 158 | 2012 |
| AlIII‐Catalysed Formation of Poly(limonene)carbonate: DFT Analysis of the Origin of Stereoregularity L Pena Carrodeguas, J González‐Fabra, F Castro‐Gómez, C Bo, ... Chemistry–A European Journal 21 (16), 6115-6122, 2015 | 152 | 2015 |
| Selective Binding and Easy Separation of C70 by Nanoscale Self‐Assembled Capsules E Huerta, GA Metselaar, A Fragoso, E Santos, C Bo, J de Mendoza Angewandte Chemie International Edition 46 (1‐2), 202-205, 2007 | 144 | 2007 |
| A metal‐free synthesis of N‐aryl carbamates under ambient conditions W Guo, J Gónzalez‐Fabra, NAG Bandeira, C Bo, AW Kleij Angewandte Chemie 127 (40), 11852-11856, 2015 | 140 | 2015 |
Josep M. PobletProfessor of Physical Chemistry (URV, Tarragona, Spain)Adresse e-mail validée de urv.cat
