Publicaciones en las que colabora con Marcos Juanes San Jose (33)
2025
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Exploring the conformational landscape through rotational spectroscopy and computational modelling: The tunneling dynamics in 2,6-diethylphenol
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 324
2024
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Competition between O-H and S-H Intermolecular Interactions in Conformationally Complex Systems: The 2-Phenylethanethiol and 2-Phenylethanol Dimers
Journal of Physical Chemistry Letters, Vol. 15, Núm. 21, pp. 5674-5680
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Data - Employment of a 1D model to study the intramolecular OH torsion of phenols
University of Bologna
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Rotational Spectroscopy and Conformational Flexibility of 2-Phenylethanethiol: The Dominant S−H⋅⋅⋅π Intramolecular Hydrogen Bond
ChemPhysChem, Vol. 25, Núm. 5
2023
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Equilibrium structures of selenium compounds: The torsionally flexible molecule of selenophenol
Journal of Chemical Physics, Vol. 159, Núm. 2
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Sulfur-arene interactions: the S⋯π and S-H⋯π interactions in the dimers of benzofuran⋯sulfur dioxide and benzofuran⋯hydrogen sulfide
Physical Chemistry Chemical Physics, Vol. 25, Núm. 17, pp. 12174-12181
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π-Stacking Isomerism in Polycyclic Aromatic Hydrocarbons: The 2-Naphthalenethiol Dimer
Journal of Physical Chemistry Letters, Vol. 14, Núm. 1, pp. 207-213
2022
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Chirality-Puckering correlation and intermolecular interactions in Sphingosines: Rotational spectroscopy of jaspine B3 and its monohydrate
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 267
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Hydrogen Bonding in the Dimer and Monohydrate of 2-Adamantanol: A Test Case for Dispersion-Corrected Density Functional Methods
Molecules (Basel, Switzerland), Vol. 27, Núm. 8
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Microhydration of Phenyl Formate: Gas-Phase Laser Spectroscopy, Microwave Spectroscopy, and Quantum Chemistry Calculations
ChemPhysChem, Vol. 23, Núm. 24
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Rotational spectroscopy of the large saturated dinitriles hexanedinitrile and heptanedinitrile
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 270
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The evolution towards cyclic structures in the aggregation of aromatic alcohols: the dimer, trimer and tetramer of 2-phenylethanol
Physical chemistry chemical physics : PCCP, Vol. 24, Núm. 40, pp. 24800-24809
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Torsional chirality and molecular recognition: the homo and heterochiral dimers of thenyl and furfuryl alcohol
Physical Chemistry Chemical Physics, Vol. 24, Núm. 15, pp. 8999-9006
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Water binding to the atmospheric oxidation product methyl vinyl ketone
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 270
2021
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Chirality, structure and hydrogen bonding in dithiols: Rotational spectrum of the chiral and meso 2,3-butanedithiol
Journal of Molecular Structure, Vol. 1246
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How accurate is the determination of equilibrium structures for van der Waals complexes? The dimer N2O···CO as an example
Journal of Chemical Physics, Vol. 154, Núm. 19
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Interaction topologies of the S⋯O chalcogen bond: The conformational equilibrium of the cyclohexanol⋯SO2cluster
Physical Chemistry Chemical Physics, Vol. 23, Núm. 18, pp. 10799-10806
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Molecular Rotation Spectrum of Tetracyclic Quinolizidines: Observation of trans-Matrine and the Elusive cis-Matrine
Journal of Organic Chemistry, Vol. 86, Núm. 2, pp. 1861-1867
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Molecular recognition, transient chirality and sulfur hydrogen bonding in the benzyl mercaptan dimer
Symmetry, Vol. 13, Núm. 11
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Switching Hydrogen Bonding to π-Stacking: The Thiophenol Dimer and Trimer
Journal of Physical Chemistry Letters, Vol. 12, Núm. 5, pp. 1367-1373