Publicaciones en colaboración con investigadores/as de University of Bologna (30)

2023

  1. Bringing Machine-Learning Enhanced Quantum Chemistry and Microwave Spectroscopy to Conformational Landscape Exploration: the Paradigmatic Case of 4-Fluoro-Threonine

    Chemistry - A European Journal, Vol. 29, Núm. 24

2022

  1. Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry, and artificial intelligence: The puzzling case of homocysteine

    Journal of Chemical Physics, Vol. 157, Núm. 7

2021

  1. Exploring the maze of cycloserine conformers in the gas phase guided by microwave spectroscopy and quantum chemistry

    Journal of Physical Chemistry A, Vol. 125, Núm. 10, pp. 2121-2129

  2. Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy

    ChemPlusChem, Vol. 86, Núm. 10, pp. 1374-1386

2015

  1. THE HYPERFINE STRUCTURE of the ROTATIONAL SPECTRUM of HDO and ITS EXTENSION to the THz REGION: ACCURATE REST FREQUENCIES and SPECTROSCOPIC PARAMETERS for ASTROPHYSICAL OBSERVATIONS

    Astrophysical Journal, Vol. 806, Núm. 1

2014

  1. Accurate characterization of the peptide linkage in the gas phase: A joint quantum-chemical and rotational spectroscopy study of the glycine dipeptide analogue

    Journal of Physical Chemistry Letters, Vol. 5, Núm. 3, pp. 534-540

2013

  1. Accurate molecular structure and spectroscopic properties of nucleobases: A combined computational-microwave investigation of 2-thiouracil as a case study

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 39, pp. 16965-16975

  2. Ubbelohde effect within weak C-Hπ hydrogen bonds: The rotational spectrum of benzene-DCF3

    Journal of Physical Chemistry A, Vol. 117, Núm. 50, pp. 13531-13534

2012

  1. Rotational spectra of rare isotopic species of fluoroiodomethane: Determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations

    Journal of Chemical Physics, Vol. 137, Núm. 2

2011

  1. Spectroscopic investigation of fluoroiodomethane, CH2FI: Fourier-transform microwave and millimeter-/submillimeter-wave spectroscopy and quantum-chemical calculations

    Journal of Chemical Physics, Vol. 134, Núm. 17

2006

  1. Molecular beam rotational spectrum of cyclobutanone-trifluoromethane: Nature of weak CH⋯O=C and CH⋯F hydrogen bonds

    Chemistry - A European Journal, Vol. 12, Núm. 3, pp. 915-920

  2. The C-H⋯-π hydrogen bond in the benzene-trifluoromethane adduct: A rotational study

    Angewandte Chemie - International Edition, Vol. 45, Núm. 2, pp. 290-293

2005

  1. Conformational equilibrium of formanilide: Detection of the pure rotational spectrum of the tunnelling cis conformer

    Molecular Physics, Vol. 103, Núm. 11-12, pp. 1473-1479

  2. The Fourier transform rotational spectrum of difluoromethane-water: Internal motion of water

    Journal of Molecular Structure, Vol. 742, Núm. 1-3, pp. 87-90

  3. The rotational spectra of conformers of biomolecules: Tryptophol

    Chemical Physics Letters, Vol. 414, Núm. 1-3, pp. 226-229

  4. Weak CH⋯F bridges and internal dynamics in the CH 3F·CHF3 molecular complex

    Angewandte Chemie - International Edition, Vol. 44, Núm. 25, pp. 3840-3844

2004

  1. Bifurcated CH2⋯O and (C-H)2⋯F-C weak hydrogen bonds: The oxirane-difluoromethane complex

    ChemPhysChem, Vol. 5, Núm. 11, pp. 1779-1782

  2. Molecular beam Fourier transform microwave spectrum of the dimethylether-xenon complex: Tunnelling splitting and 131Xe quadrupole coupling constants

    Chemical Physics Letters, Vol. 392, Núm. 1-3, pp. 1-6

  3. Tunnelling motion of HF between the two oxygen lone pairs in the dimethyl ether - Hydrogen fluoride complex: A pure rotational study

    ChemPhysChem, Vol. 5, Núm. 3, pp. 336-341

2002

  1. Free jet rotational spectrum and Ar inversion in the dimethyl ether-argon complex

    Chemical Physics Letters, Vol. 361, Núm. 3-4, pp. 341-348