Publicaciones en las que colabora con MARTIN JARAIZ MALDONADO (73)

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

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. 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

2011

  1. Physical modeling and implementation scheme of native defect diffusion and interdiffusion in SiGe heterostructures for atomistic process simulation

    Journal of Applied Physics

2010

  1. Atomistic modeling of defect diffusion and interdiffusion in SiGe heterostructures

    Thin Solid Films, Vol. 518, Núm. 9, pp. 2448-2453

2008

  1. Comprehensive model of damage accumulation in silicon

    Journal of Applied Physics, Vol. 103, Núm. 1

  2. The use of extended-defect dissolution as a probe for stress-induced interstitial diffusion anisotropy

    Materials Science and Engineering B: Solid-State Materials for Advanced Technology, Vol. 154-155, Núm. 1-3, pp. 260-263

2007

  1. Atomistic modeling and physical comprehension of the effects of implant dose rate on boron activation in pMOSFET S/D

    ESSDERC 2007 - Proceedings of the 37th European Solid-State Device Research Conference