Publications in collaboration with researchers from Universidad de La Rioja (21)

2023

  1. Aggregation of nucleobases and metabolites: Adenine-theobromine trimers

    The Journal of chemical physics, Vol. 158, Núm. 6, pp. 064304

2021

  1. Exploring Epigenetic Marks by Analysis of Noncovalent Interactions

    ChemBioChem, Vol. 22, Núm. 2, pp. 408-415

2018

  1. Isomerism of the Aniline Trimer

    Angewandte Chemie - International Edition, Vol. 57, Núm. 46, pp. 15112-15116

  2. Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition

    Journal of the American Chemical Society, Vol. 140, Núm. 31, pp. 9952-9960

2016

  1. Unravelling Protein–DNA Interactions at Molecular Level: A DFT and NCI Study

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 2, pp. 523-534

2014

  1. Behind the reactivity of lactones: A computational and spectroscopic study of phenol·γ-butyrolactone

    Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, Vol. 118, Núm. 14, pp. 2568-2575

  2. Mimicking anesthetic-receptor interactions in jets: The propofol-isopropanol cluster

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 32, pp. 16968-16975

  3. Molecular Hydration of Propofol Dimer in Supersonic Expansions: Formation of Active Centre-Like Structures

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 42, pp. 23301-23307

  4. Water encapsulation by nanomicelles

    Angewandte Chemie International, Vol. 53, Núm. 46, pp. 12480-12483

2013

  1. Formation of water polyhedrons in propofol-water clusters

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 2, pp. 568-575

  2. Magic numbers in the solvation of the propofol dimer

    ChemPhysChem, Vol. 14, Núm. 8, pp. 1558-1562

  3. Shaping micelles: The interplay between hydrogen bonds and dispersive interactions

    Angewandte Chemie International, Vol. 52, Núm. 30, pp. 7772-7775

  4. Transition from planar to nonplanar hydrogen bond networks in the solvation of aromatic dimers: Propofol2-(H2O)2-4

    Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, Vol. 117, Núm. 16, pp. 3396-3404

  5. Unraveling the benzocaine-receptor interaction at molecular level using mass-resolved spectroscopy

    Journal of Physical Chemistry B, Vol. 117, Núm. 43, pp. 13472-13480

2012

  1. A spectroscopic and computational study of propofol dimers and their hydrated clusters

    ChemPhysChem, Vol. 13, Núm. 17, pp. 3819-3826

  2. Exploring microsolvation of the anesthetic propofol

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 13, pp. 4398-4409

  3. Mimicking anaesthetic-receptor interaction: A combined spectroscopic and computational study of propofol⋯phenol

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 25, pp. 8956-8963