Publicaciones en las que colabora con Slawomir Grabowski (10)

2019

  1. Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis

    ChemPhysChem, Vol. 20, Núm. 19, pp. 2443-2450

2018

  1. Aluminum's preferential binding site in proteins: sidechain of amino acids versus backbone interactions

    Journal of Inorganic Biochemistry, Vol. 181, pp. 111-116

2017

  1. π⋅⋅⋅H+⋅⋅⋅π Hydrogen Bonds and Their Lithium and Gold Analogues: MP2 and CASPT2 Calculations

    ChemPhysChem, Vol. 18, Núm. 17, pp. 2409-2417

2016

  1. Comparison of Hydrogen and Gold Bonding in [XHX]−, [XAuX]−, and Isoelectronic [NgHNg]+, [NgAuNg]+(X=Halogen, Ng=Noble Gas)

    Chemistry - A European Journal, Vol. 22, Núm. 32, pp. 11317-11328

  2. Dihydrogen bond interactions as a result of H2 cleavage at Cu, Ag and Au centres

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 18, pp. 12810-12818

  3. Structural and optical properties of the naked and passivated Al5Au5 bimetallic nanoclusters

    Journal of Chemical Physics, Vol. 144, Núm. 11

2015

  1. Aluminum and its effect in the equilibrium between folded/unfolded conformation of NADH

    Journal of Inorganic Biochemistry, Vol. 152, pp. 139-146

2010

  1. Ab initio calculations on C6H6⋯(HF) n clusters - X-H⋯π hydrogen bond

    Canadian Journal of Chemistry, Vol. 88, Núm. 8, pp. 769-778

  2. Bond paths show preferable interactions: Ab initio and QTAIM studies on the X-H⋯π hydrogen bond

    Journal of Physical Chemistry A, Vol. 114, Núm. 26, pp. 7223-7229

  3. High-level ab initio calculations on low barrier hydrogen bonds and proton bound homodimers

    Chemical Physics Letters, Vol. 493, Núm. 1-3, pp. 37-44