Publicaciones en las que colabora con Martin Jaraiz Maldonado (8)

2022

  1. 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

  2. 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

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

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