Publikationen in Zusammenarbeit mit Forschern von Universidad de Valladolid (94)

2023

  1. Understanding the color change of the solutions of Cp2TiCl upon addition of water

    Applied Organometallic Chemistry, Vol. 37, Núm. 2

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

2020

  1. A concise route for the synthesis of tetracyclic meroterpenoids: (±)-aureol preparation and mechanistic interpretation

    Marine Drugs, Vol. 18, Núm. 9

  2. DFT-Based Microkinetic Simulations: A Bridge Between Experiment and Theory in Synthetic Chemistry

    Topics in Organometallic Chemistry (Springer Science and Business Media Deutschland GmbH), pp. 81-105

  3. Rational selection of co-catalysts for the deaminative hydrogenation of amides

    Chemical Science, Vol. 11, Núm. 8, pp. 2225-2230

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. Mimicking Halimane Synthases: Monitoring a Cascade of Cyclizations and Rearrangements from Epoxypolyprenes

    Journal of Organic Chemistry, Vol. 84, Núm. 21, pp. 13764-13779

  3. Reduction of furfural by Mn/2,4,6-Coll.HCl/H2O: Mechanistic aspects of this reaction

    Applied Organometallic Chemistry, Vol. 33, Núm. 7

  4. 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. 15-Hydroxygermacranolides as Sources of Structural Diversity: Synthesis of Sesquiterpene Lactones by Cyclization and Rearrangement Reactions. Experimental and DFT Study

    Journal of Organic Chemistry, Vol. 83, Núm. 10, pp. 5480-5495

  2. Kinetic Monte Carlo simulation for semiconductor processing: A review

    Progress in Materials Science, Vol. 92, pp. 1-32

  3. 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

2016

  1. Cover Picture: Ti-Mediated Efficient Reductive Dehalogenation of Carbon–Halogen Bonds (Asian J. Org. Chem. 8/2016)

    Asian Journal of Organic Chemistry

  2. Ti-Mediated Efficient Reductive Dehalogenation of Carbon–Halogen Bonds

    Asian Journal of Organic Chemistry, Vol. 5, Núm. 8, pp. 991-1001

2015

  1. Homocoupling versus reduction of radicals: An experimental and theoretical study of Ti(iii)-mediated deoxygenation of activated alcohols

    Organic and Biomolecular Chemistry, Vol. 13, Núm. 11, pp. 3462-3469

2013

  1. Structural diversity from the transannular cyclizations of natural germacrone and epoxy derivatives: A theoretical-experimental study

    Chemistry - A European Journal, Vol. 19, Núm. 21, pp. 6598-6612