Publications (32) Publications de MARCOS JUANES SAN JOSE

2024

  1. 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, pp. 5674-5680

  2. Iron Complexes as Potential Carriers of Diffuse Interstellar Bands: The Photodissociation Spectrum of Fe+(H2O) at Optical Wavelengths

    Journal of Physical Chemistry A, Vol. 128, Núm. 7, pp. 1306-1312

  3. Rotational Spectroscopy and Conformational Flexibility of 2-Phenylethanethiol: The Dominant S−H⋅⋅⋅π Intramolecular Hydrogen Bond

    ChemPhysChem, Vol. 25, Núm. 5

2023

  1. Equilibrium structures of selenium compounds: The torsionally flexible molecule of selenophenol

    Journal of Chemical Physics, Vol. 159, Núm. 2

  2. 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

  3. π-Stacking Isomerism in Polycyclic Aromatic Hydrocarbons: The 2-Naphthalenethiol Dimer

    Journal of Physical Chemistry Letters, Vol. 14, Núm. 1, pp. 207-213

2022

  1. 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

  2. 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

  3. Microhydration of Phenyl Formate: Gas-Phase Laser Spectroscopy, Microwave Spectroscopy, and Quantum Chemistry Calculations

    ChemPhysChem, Vol. 23, Núm. 24

  4. Rotational spectroscopy of the large saturated dinitriles hexanedinitrile and heptanedinitrile

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 270

  5. 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

  6. 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

  7. Water binding to the atmospheric oxidation product methyl vinyl ketone

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 270

2021

  1. Chirality, structure and hydrogen bonding in dithiols: Rotational spectrum of the chiral and meso 2,3-butanedithiol

    Journal of Molecular Structure, Vol. 1246

  2. 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

  3. 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

  4. 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

  5. Molecular recognition, transient chirality and sulfur hydrogen bonding in the benzyl mercaptan dimer

    Symmetry, Vol. 13, Núm. 11

  6. Switching Hydrogen Bonding to π-Stacking: The Thiophenol Dimer and Trimer

    Journal of Physical Chemistry Letters, Vol. 12, Núm. 5, pp. 1367-1373

2020

  1. Rotational spectrum and intramolecular hydrogen bonding in 1,2-butanedithiol

    Journal of Molecular Structure, Vol. 1211