Publications – Page 6

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Transition Metal-Catalyzed Hydroarylation of Alkynes

C. Nevado, A. M. Echavarren

Synthesis 2005, 2, 167-182.
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.
DABCO-Directed Self-Assembly of Bisporphyrins (DABCO=1,4-diazabicyclo[2.2.2]octane)

P. Ballester, A. Costa, A. M. Castilla, P. M. Dey, A. Frontera, R. M. Gomila, C. A. Hunter

Chem. Eur. J. 2005, 11, 2196-2206.
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.
Monoligated Palladium Species as Catalysts in Cross-Coupling Reactions

U. Christmann, R. Vilar

Angew. Chem. Int. Ed. 2005, 44, 366-374.
Approximate Additivity of Anion-π Interactions: An Ab Initio Study on Anion-π, Anion-π2 and Anion-π3 Complexes

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

J. Phys. Chem. A 2005, 109, 9341-9345.
A QM/MM Study of the Asymmetric Dihydroxylation of Terminal Aliphatic n-Alkenes with OsO4•(DHQD)2PYDZ: Enantioselectivity as a Function of Chain Length

G. Drudis-Solé, G. Ujaque, F. Maseras, A. Lledós

Chem. Eur. J. 2005, 11, 1017-1029.
Structure and Binding Energy of Anion-π and Cation-π Complexes: A Comparison of MP2, RI-MP2, DFT, and DF-DFT Methods

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

J. Phys. Chem. A 2005, 109, 4632-4637.
Lanthanum ferrite membranes in ammonia oxidation: Opportunities for ‘pocket-sized’ nitric acid plants

J. Pérez-Ramírez, B. Vigeland

Catal. Today 2005, 105, 436-442.

Research