Publicaciones en colaboración con investigadoras/es de Universidad de La Rioja (33)

2023

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

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

  2. Conformationally Restricted β-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates

    Chemistry - A European Journal, Vol. 29, Núm. 9

2022

  1. Fluorination and deoxygenation as chemical tools to study the conformational preferences of hexopyranoses: a journey from gas phase to solution

    75th International Symposium on Molecular Spectroscopy

2021

  1. Exploring Epigenetic Marks by Analysis of Noncovalent Interactions

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

  2. Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium

    Journal of Physical Chemistry Letters, Vol. 12, Núm. 4, pp. 1352-1359

2020

  1. Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars

    ACS Central Science, Vol. 6, Núm. 2, pp. 293-303

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

  2. Photophysical characterization of new and efficient synthetic sunscreens

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 21, pp. 11376-11384

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

2017

  1. Competition between stacked and hydrogen bonded structures of cytosine aggregates

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 13, pp. 8826-8834

  2. Conformational landscape of isolated capped amino acids: on the nature of non-covalent interactions

    European Physical Journal D, Vol. 71, Núm. 8

  3. Conformational study of DNA sugars: from the gas phase to solution

    72nd International Symposium on Molecular Spectroscopy

  4. Untangling Tn antigen structure and its first hydration shell

    28th Joint Glycobiology Meeting 2017

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. 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