Publications by the researcher in collaboration with ALBERTO EUGENIO LESARRI GOMEZ (13)

2023

  1. 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. 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

2021

  1. 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

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

    Symmetry, Vol. 13, Núm. 11

2020

  1. Sulfur hydrogen bonding and internal dynamics in the monohydrates of thenyl mercaptan and thenyl alcohol

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 22, pp. 12412-12421

2019

  1. An Efficient Microkinetic Modeling Protocol: Start with only the Dominant Mechanisms, Adjust All Parameters, and Build the Complete Model Incrementally

    ACS Catalysis, Vol. 9, Núm. 6, pp. 4804-4809

  2. Rotational Spectrum, Tunneling Motions, and Intramolecular Potential Barriers in Benzyl Mercaptan

    Journal of Physical Chemistry A, Vol. 123, Núm. 39, pp. 8435-8440

  3. Rotational spectroscopy of organophosphorous chemical agents: Cresyl and phenyl saligenin phosphates

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 30, pp. 16418-16422

2018

  1. Sulfur Hydrogen Bonding in Isolated Monohydrates: Furfuryl Mercaptan versus Furfuryl Alcohol

    Chemistry - A European Journal, Vol. 24, Núm. 25, pp. 6564-6571

2017

  1. A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene

    Journal of Organic Chemistry, Vol. 82, Núm. 7, pp. 3760-3766

  2. Rotational spectra of tetracyclic quinolizidine alkaloids: Does a water molecule flip sparteine?

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 27, pp. 17553-17559