Publications en collaboration avec des chercheurs de Universidad de Valladolid (75)

2024

  1. Shape and interactions of the synthetic repellent DEET

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 37, pp. 24455-24460

2020

  1. Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben

    Chemical Communications, Vol. 56, Núm. 45, pp. 6094-6097

  2. Halogen bond and internal dynamics in the σ–complex of pyridine-chlorotrifluoromethane: A rotational study

    Journal of Molecular Spectroscopy, Vol. 371

2019

  1. Conformational Behavior of D-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 12, pp. 3339-3345

2018

  1. Phenyl-β-D-glucopyranoside and phenyl-β-D-galactopyranoside Dimers: Small structural differences but very different interactions

    Frontiers in Physics, Vol. 5, Núm. FEB

2017

  1. N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine

    Chemistry - A European Journal, Vol. 23, Núm. 65, pp. 16491-16496

  2. N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine

    Chemistry - A European Journal

  3. Structural Studies of Nicotinoids: Cotinine versus Nicotine

    Chemistry - A European Journal, Vol. 23, Núm. 30, pp. 7238-7244

  4. Structural Studies of Nicotinoids: Cotinine versus Nicotine

    Chemistry - A European Journal

  5. Understanding the role of tyrosine in glycogenin

    Molecular BioSystems, Vol. 13, Núm. 9, pp. 1709-1712

2016

  1. Furanosic forms of sugars: Conformational equilibrium of methyl β-d-ribofuranoside

    Chemical Communications, Vol. 52, Núm. 37, pp. 6241-6244

  2. Intermolecular Hydrogen Bonding in 2-Fluoropyridine-Water

    ChemistrySelect, Vol. 1, Núm. 6, pp. 1273-1277

  3. Potential energy surface of fluoroxene: Experiment and theory

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 5, pp. 3966-3974

  4. Scopine Isolated in the Gas Phase

    ChemPhysChem, Vol. 17, Núm. 19, pp. 3030-3034

  5. The Conformational Map of Volatile Anesthetics: Enflurane Revisited

    Chemistry - A European Journal, Vol. 22, Núm. 28, pp. 9804-9811

  6. The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 23, pp. 15555-15563

  7. 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. Accurate equilibrium structures for piperidine and cyclohexane

    Journal of Physical Chemistry A, Vol. 119, Núm. 9, pp. 1486-1493

  2. Chiral recognition and atropisomerism in the sevoflurane dimer

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 28, pp. 18282-18287

  3. Internal dynamics in Halogen-Bonded adducts: A rotational study of chlorotrifluoromethane-formaldehyde

    Chemistry - A European Journal, Vol. 21, Núm. 10, pp. 4148-4152