Química Física
Departamento
Instituto Biofisika
Lejona, EspañaPublicaciones en colaboración con investigadoras/es de Instituto Biofisika (23)
2024
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Unlocking a new hydrogen-bonding marker: C-O bond shortening in vicinal diols revealed by rotational spectroscopy
Journal of Chemical Physics, Vol. 160, Núm. 15
2023
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Conformationally Restricted β-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates
Chemistry - A European Journal, Vol. 29, Núm. 9
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Deciphering the non-covalent interactions in the furan⋯hexane complex using rotational spectroscopy and theoretical analyses
Journal of Chemical Physics, Vol. 159, Núm. 13
2022
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2,2,3,3,3-Pentafluoro-1-propanol and its dimer: structural diversity, conformational conversion, and tunnelling motion
Physical Chemistry Chemical Physics, Vol. 24, Núm. 24, pp. 14975-14984
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Multi-output chemometrics model for gasoline compounding
Fuel, Vol. 310
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Rotation-tunneling spectra and barriers of isotopologues of 2,2,2-trifluoroethanol and 2,2,3,3,3-pentafluoropropanol
Journal of Molecular Spectroscopy, Vol. 388
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Rotational Spectroscopy of 2-Furoic Acid and Its Dimer: Conformational Distribution and Double Proton Tunneling
ChemPhysChem, Vol. 23, Núm. 12
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Structure and dynamics of methacrylamide, a computational and free-jet rotational spectroscopic study
Journal of Molecular Structure, Vol. 1248
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The SKA as a Prebiotic Molecule Detector
Frontiers in Astronomy and Space Sciences, Vol. 9
2021
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Characterizing hydrogen and tetrel bonds in clusters of CO2with carboxylic acids
Physical Chemistry Chemical Physics, Vol. 23, Núm. 31, pp. 16915-16922
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Characterizing the lone pair⋯π-hole interaction in complexes of ammonia with perfluorinated arenes
Physical Chemistry Chemical Physics, Vol. 23, Núm. 15, pp. 9121-9129
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The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane
Angewandte Chemie - International Edition, Vol. 60, Núm. 31, pp. 16894-16899
2020
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Chlorination and tautomerism: A computational and UPS/XPS study of 2-hydroxypyridine ⇌ 2-pyridone equilibrium
Physical Chemistry Chemical Physics, Vol. 22, Núm. 24, pp. 13440-13455
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Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben
Chemical Communications, Vol. 56, Núm. 45, pp. 6094-6097
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Exploration of the theobromine-water dimer: comparison with DNA microhydration
Physical Chemistry Chemical Physics, Vol. 22, Núm. 27, pp. 15759-15768
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Halogen bond and internal dynamics in the σ–complex of pyridine-chlorotrifluoromethane: A rotational study
Journal of Molecular Spectroscopy, Vol. 371
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Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars
ACS Central Science, Vol. 6, Núm. 2, pp. 293-303
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The Six Isomers of the Cyclohexanol Dimer: A Delicate Test for Dispersion Models
Angewandte Chemie, Vol. 132, Núm. 33, pp. 14185-14189
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The Six Isomers of the Cyclohexanol Dimer: A Delicate Test for Dispersion Models
Angewandte Chemie - International Edition, Vol. 59, Núm. 33, pp. 14081-14085
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Toward the RNA-World in the Interstellar Medium - Detection of Urea and Search of 2-Amino-oxazole and Simple Sugars
Astrobiology, Vol. 20, Núm. 9, pp. 1048-1066