Prof. Carles Bo

Revisiting the Methyl Iodide Oxidative Addition to Rhodium Complexes: A DFT Study of the Activation Parameters

M. Feliz, Z. Freixa, P. W. N. M. Van Leeuwen, C. Bo

Organometallics 2005, 24, 5718-5723.
General Rule for the Stabilization of Fullerene Cages Encapsulating Trimetallic Nitride Templates

J. M. Campanera, C. Bo, J. M. Poblet

Angew. Chem. Int. Ed. 2005, 44, 7230-7233.
Highly Reduced Polyoxometalates: Ab Initio and DFT Study of [PMo8V4O40(VO)4]5-

X. López, C. de Graaf, J. M. Maestre, M. Bénard, M.-M. Rohmer, C. Bo, J. M. Poblet

J. Chem. Theory Comput. 2005, 1, 856-861.
Reductive Elimination of Organic Molecules from Palladium-Diphosphine Complexes

E. Zuidema, P. W. N. M. van Leeuwen, C. Bo

Organometallics 2005, 24, 3703-3710.
Prediction of Heterofullerene Stabilities: A Combined DFT and Chemometric Study of C56Pt2, C57Pt2 and C81Pt2

J. M. Campanera, C. Bo, A. L. Balch, J. Ferré, J. M. Poblet

Chem. Eur. J. 2005, 11, 2730-2742.
Polyoxometalates in Solution: Molecular Dynamics Simulations on the alpha-PW12O403- Keggin Anion in Aqueous Media

X. López, C. Nieto-Draghi, C. Bo, J. Bonet Avalos, J. M. Poblet

J. Phys. Chem. A 2005, 109, 1216-1222.