Research

Article covers gallery 2012

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Resonances in the Ne + H2+ → NeH+ + H Proton-Transfer Reaction

Resonances in the Ne + H2+ → NeH+ + H Proton-Transfer Reaction. P. Gamallo, F. Huarte-Larrañaga, M. González. J. Phys. Chem. A, 117 (2013) 5393-5400 Combined plot of the excitation […]

A Model Potential for Acetonitrile: from Small Clusters to Liquid

A Model Potential for Acetonitrile: from Small Clusters to Liquid M. Albertí, A. Amat, F. De Angelis, F. Pirani J. Phys. Chem. B., 117 (2013) 7065.   Mean diffusion coeficients […]

The reaction of formaldehyde carbonyl oxide with the methyl peroxy radical and its relevance in the chemistry of the atmosphere

The reaction of formaldehyde carbonyl oxide with the methyl peroxy radical and its relevance in the chemistry of the atmosphere J.M. Anglada, S. Olivella, A. Solé Phys. Chem. Chem. Phys., […]

Elementary reaction processes involving atomic and molecular oxygen on ZrB2 (0001) surface

Elementary reaction processes involving atomic and molecular oxygen on ZrB2 (0001) surface P. Gamallo, R. Sayós J. Phys. Chem. C 117 (2013) 5831. Atomic oxygen interacting with a ZrB2 (0001) […]

Negative feedback self-regulation contributes to robust and high-fidelity transmembrane signall transduction

Negative feedback self-regulation contributes to robust and high-fidelity transmembrane signall transduction M.A. Serrano, M. Jurado, R. Reigada. J. R. Soc. Interface, 10 (2013) 20130581.   Sketch of the Ras-MAPK signalling […]

Formation of a covalent glycosyl-enzyme species in a retaining glycosyltransferase

Formation of a covalent glycosyl-enzyme species in a retaining glycosyltransferase V. Rojas-Cervellera, A. Ardèvol, M. Boero, A. Planas, C. Rovira. Chem. Eur. J. 42 (2013) 14018. Molecular mechanism of glycosidic […]

Structural analysis of the inhibition of APRIL by TACI and BCMA through molecular dynamics simulations

Structural analysis of the inhibition of APRIL by TACI and BCMA through molecular dynamics simulations M. González-Mendióroz, A-B. Álvarez-Vázquez, J. Rubio-Martinez J. Mol. Graph Model., 39 (2013) 13   Structural […]