Publications dans lesquelles il/elle collabore avec Xabier López Pestaña (24)

2022

  1. Hydrogen Tunneling in Catalytic Hydrolysis and Alcoholysis of Silanes

    Angewandte Chemie - International Edition, Vol. 61, Núm. 36

2013

  1. Design, synthesis, and functional evaluation of leukocyte function associated antigen-1 antagonists in early and late stages of cancer development

    Journal of Medicinal Chemistry, Vol. 56, Núm. 3, pp. 735-747

2008

  1. Trans-stereoselectivity in the reaction between homophthalic anhydride and imines

    Organic Letters, Vol. 10, Núm. 21, pp. 4759-4762

2007

  1. Comparative Normal Mode Analysis of LFA-1 Integrin I-domains

    Journal of Molecular Biology, Vol. 374, Núm. 1, pp. 231-249

  2. Metal ion dependent adhesion sites in integrins: A combined DFT and QMC study on Mn2+

    Journal of Physical Chemistry B, Vol. 111, Núm. 30, pp. 9099-9103

2006

  1. On the affinity regulation of the metal-ion-dependent adhesion sites in integrins

    Journal of the American Chemical Society, Vol. 128, Núm. 11, pp. 3554-3563

2004

  1. Quantitative Evaluation of the Catalytic Activity of Dendrimers with only One Active Center at the Core: Application to the Nitroaldol (Henry) Reaction

    Journal of the American Chemical Society, Vol. 126, Núm. 16, pp. 5243-5252

1997

  1. G2 study of triplet [H4, Si, P]+ potential energy surface: Mechanism for reaction of P+ (3P) with silane

    Journal of Computational Chemistry, Vol. 18, Núm. 1, pp. 9-19

1996

  1. Ab initio characterization of gaseous (HnP(o)(o)C)(+) species

    JOURNAL OF PHYSICAL CHEMISTRY, Vol. 100, Núm. 21, pp. 8758-8762

  2. Characterization of (P+Lx)Ly, ion molecule clusters of first-row hydrides

    Journal of the American Chemical Society, Vol. 118, Núm. 11, pp. 2718-2725

  3. On the accuracy of density functional theory for ion-molecule clusters. A study of PLn+ clusters of the first and second row hydrides

    Canadian Journal of Chemistry, Vol. 74, Núm. 6, pp. 1032-1048

  4. Solvent and substituent effects in the periselectivity of the staudinger reaction between ketenes and α,β-unsaturated imines. A theoretical and experimental study

    Journal of Organic Chemistry, Vol. 61, Núm. 9, pp. 3070-3079

1995

  1. G1 and G2 study of the triplet [H4, C, O, P]+ potential energy surface. Mechanisms for the reaction of P+ (3P) with methanol

    Journal of Physical Chemistry, Vol. 99, Núm. 32, pp. 12170-12178

  2. Mechanisms for the reaction of triplet P+ with XH (X = Cl, F). Formation of the P-X bond

    Journal of Physical Chemistry, Vol. 99, Núm. 18, pp. 6812-6818

  3. On the Stereochemical Outcome of the Catalyzed and Uncatalyzed Cycloaddition Reaction between Activated Ketenes and Aldehydes to form cis- and trans-2-Oxetanones. An ab Initio Study

    Journal of the American Chemical Society, Vol. 117, Núm. 49, pp. 12314-12321

  4. Theoretical studies of possible processes for the interstellar production of phosphorus compounds. The reaction of P+ with acetylene

    Journal of Physical Chemistry, Vol. 99, Núm. 17, pp. 6432-6440

1994

  1. Ab initio characterization of gaseous (CO2P)+ species

    Journal of Physical Chemistry, Vol. 98, Núm. 9, pp. 2294-2297

  2. Characterization of the P+Ln Ion Molecule Clusters of the First-and Second-Row Hydrides

    Journal of the American Chemical Society, Vol. 116, Núm. 23, pp. 10670-10678

  3. Topological analysis of the charge density for phosphorus ion-molecule complexes bound to water and ammonia molecules

    Journal of Physical Chemistry, Vol. 98, Núm. 12, pp. 3148-3153

1993

  1. A Semiempirical Theoretical Study on the Formation of β-Lactams from Ketenes and Imines

    Journal of the American Chemical Society, Vol. 115, Núm. 3, pp. 995-1004