Publications – Page 3

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DFT Characterization of Adsorbed NHx Species on Pt(100) and Pt(111) Surfaces

G. Novell-Leruth, A. Valcárcel, A. Clotet, J. M. Ricart, J. Pérez-Ramírez

J. Phys. Chem. B 2005, 109, 18061-18069.
Self-Assembled Pentamers and Hexamers Linked through Quadruple-Hydrogen-Bonded 2-Ureido-4[1H]-Pyrimidinones

H. M. Keizer, J. J. González, M. Segura, P. Prados, R. P. Sijbesma, E. W. Meijer, J. de Mendoza

Chem. Eur. J. 2005, 11, 4602-4608.
Reversible Colorimetric Probes for Mercury Sensing

E. Coronado, J. R. Galán-Mascarós, C. Martí-Gastaldo, E. Palomares, J. R. Durrant, R. Vilar, M. Gratzel, M. K. Nazeeruddin

J. Am. Chem. Soc. 2005, 127, 12351-12356.
Self-Assembly, Binding, and Dynamic Properties of Heterodimeric Porphyrin Macrocycles

P. Ballester, A. Costa, P. M. Deyà, A. Frontera, R. M. Gomila, A. I. Oliva, J. K. M. Sanders, C. A. Hunter

J. Org. Chem. 2005, 70, 6616-6622.
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.
Counterintuitive affinity of [2.2]paracyclophane to cations

D. Quiñonero, A. Frontera, C. Garau, P. Ballester, A. Costa, P. M. Deyà, F. Pichierri

Chem. Phys. Lett. 2005, 408, 59-64.
Fragmentations and reactions of some isotopically labelled dimethyl methyl phosphono and trimethyl phosphoro thiolates and thionates studied by electrospray ionisation ion trap mass spectrometry

J. D. Barr, A. J. Bell, F. Ferrante, G. La Mannad, J. L. Mundyc, C. M. Timperley, M. J. Waters, P. Watts

Int. J. Mass Spec. 2005, 244, 29-40.
Synthesis, Properties and Molecular Structure of [Ru(tpm)(bpy)(CH3CN)](PF6)2 (tpm = tris(1-pyrazolyl)methane, bpy = 2,2′-bipyridine) – Another Example of Nitrile Hydrolysis Promoted by Ruthenium(II)

N. E. Katz, F. Fagalde, N. D. Lis de Katz, M. G. Mellace, I. Romero, A. Llobet, J. Benet-Buchholz

Eur. J. Inorg. Chem. 2005, 3019-3023.
A Theoretical Assessment of the Thermodynamic Preferences in the Cyclopalladation of Amines

R. Bosque, F. Maseras

Eur. J. Inorg. Chem. 2005, 4040-4047.
Highly Efficient Fe-silicalite Zeolite in Direct Propane Ammoxidation with N2O and O2

J. Pérez-Ramírez, N. Blangenoisb, P. Ruiz

Catal. Lett. 2005, 104, 163-167.

Research