Universidad de Valladolid-ko ikertzaileekin lankidetzan egindako argitalpenak (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