Maria Lourdes Enriquez Giraudo-rekin lankidetzan egindako argitalpenak (18)

2024

  1. Rotational Spectroscopy and Conformational Flexibility of 2-Phenylethanethiol: The Dominant S−H⋅⋅⋅π Intramolecular Hydrogen Bond

    ChemPhysChem, Vol. 25, Núm. 5

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. 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

2003

  1. Statistical 3D damage accumulation model for ion implant simulators

    Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

2002

  1. Enhanced modelization of ion implant simulation in compound semiconductors

    Solid-State Electronics, Vol. 46, Núm. 9, pp. 1315-1324

1995

  1. An improved molecular dynamics scheme for ion bombardment simulations

    Nuclear Inst. and Methods in Physics Research, B, Vol. 102, Núm. 1-4, pp. 7-11