Publications by the researcher in collaboration with Judith Millán Moneo (16)

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

2015

  1. Structural Distortion of the Epoxy Groups in Norbornanes: A Rotational Study of exo-2,3-Epoxynorbornane

    ChemPhysChem, Vol. 16, Núm. 12, pp. 2609-2614

2014

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

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

  2. 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

  3. Water encapsulation by nanomicelles

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

2013

  1. A subtle interplay between hydrogen bonds and dispersive interactions gives the final shape to a micelle

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

  2. Formation of water polyhedrons in propofol-water clusters

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

  3. Magic numbers in the solvation of the propofol dimer

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

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

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

  5. 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

  6. 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 combined spectroscopic and theoretical study of propofol·(H 2O) 3

    Journal of Chemical Physics, Vol. 137, Núm. 7, pp. 074303

  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

  4. Single hydration of the peptide bond: The case of the Vince Lactam

    Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, Vol. 116, Núm. 41, pp. 10099-10106

2011

  1. Discriminating the structure of exo-2-aminonorbornane using nuclear quadrupole coupling interactions

    Journal of Chemical Physics, Vol. 134, Núm. 16, pp. 164311-164318