Carles Bo
Carles Bo
Institute of Chemical Research of Catalonia
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Cited by
Cited by
Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
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
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
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
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
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
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
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
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
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
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
General rule for the stabilization of fullerene cages encapsulating trimetallic nitride templates
JM Campanera, C Bo, JM Poblet
Angewandte Chemie International Edition 44 (44), 7230-7233, 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
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, ...
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
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
Activation of diboron reagents with Brřnsted 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
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
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
Tripodal exTTF-CTV hosts for fullerenes
E Huerta, H Isla, EM Pérez, C Bo, N Martín, J Mendoza
Journal of the American Chemical Society 132 (15), 5351-5353, 2010
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