Publicacións en colaboración con investigadores/as 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

  4. Structural Studies of Nicotinoids: Cotinine versus Nicotine

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

  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