Luis Fernández Pacios-rekin lankidetzan egindako argitalpenak (13)

2016

  1. A theoretical study on the reaction of ozone with aqueous iodide

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 11, pp. 7651-7660

2013

  1. A theoretical study on the formation of iodine oxide aggregates and monohydrates

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 37, pp. 15572-15583

2011

  1. Ab initio study of hydroxyl torsional barriers and molecular properties of mono-and di-iodotyrosine

    Journal of Physical Chemistry A, Vol. 115, Núm. 45, pp. 12616-12623

2010

  1. Active site, catalytic cycle, and iodination reactions of vanadium iodoperoxidase: A computational study

    Journal of Chemical Theory and Computation, Vol. 6, Núm. 5, pp. 1738-1752

2009

  1. Characterization of two types of intermolecular interactions on halogen monoxide monohydrates

    Journal of Computational Chemistry, Vol. 30, Núm. 15, pp. 2538-2549

2001

  1. Approximate kinetic energy density for intermolecular regions in hydrogen bond dimers

    Chemical Physics Letters, Vol. 337, Núm. 4-6, pp. 263-268

  2. Intramolecular effects and relative stabilities of conformers of gaseous glycine

    Journal of Physical Chemistry A, Vol. 105, Núm. 21, pp. 5232-5241

  3. Variation with the intermolecular distance of properties dependent on the electron density in hydrogen bond dimers

    Journal of Chemical Physics, Vol. 115, Núm. 24, pp. 11166-11184

2000

  1. Structures and bonding in silane derivatives with one alkali atom

    Journal of Physical Chemistry A, Vol. 104, Núm. 32, pp. 7617-7624