JOSE LUIS
ALONSO HERNANDEZ
Investigador no período 1993-2023
University of Bologna
Bolonia, ItaliaPublicacións en colaboración con investigadores/as de University of Bologna (30)
2023
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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
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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
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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
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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
2014
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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
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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
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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
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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
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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
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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
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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
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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
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The Fourier transform rotational spectrum of difluoromethane-water: Internal motion of water
Journal of Molecular Structure, Vol. 742, Núm. 1-3, pp. 87-90
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The rotational spectra of conformers of biomolecules: Tryptophol
Chemical Physics Letters, Vol. 414, Núm. 1-3, pp. 226-229
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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
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Bifurcated CH2⋯O and (C-H)2⋯F-C weak hydrogen bonds: The oxirane-difluoromethane complex
ChemPhysChem, Vol. 5, Núm. 11, pp. 1779-1782
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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
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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
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Free jet rotational spectrum and Ar inversion in the dimethyl ether-argon complex
Chemical Physics Letters, Vol. 361, Núm. 3-4, pp. 341-348