Publicaciones en las que colabora con Martin Jaraiz Maldonado (73)
2023
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Understanding the color change of the solutions of Cp2TiCl upon addition of water
Applied Organometallic Chemistry, Vol. 37, Núm. 2
2022
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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
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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
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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
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A concise route for the synthesis of tetracyclic meroterpenoids: (±)-aureol preparation and mechanistic interpretation
Marine Drugs, Vol. 18, Núm. 9
2019
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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
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Mimicking Halimane Synthases: Monitoring a Cascade of Cyclizations and Rearrangements from Epoxypolyprenes
Journal of Organic Chemistry, Vol. 84, Núm. 21, pp. 13764-13779
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Reduction of furfural by Mn/2,4,6-Coll.HCl/H2O: Mechanistic aspects of this reaction
Applied Organometallic Chemistry, Vol. 33, Núm. 7
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Rotational Spectrum, Tunneling Motions, and Intramolecular Potential Barriers in Benzyl Mercaptan
Journal of Physical Chemistry A, Vol. 123, Núm. 39, pp. 8435-8440
2018
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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
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Sulfur Hydrogen Bonding in Isolated Monohydrates: Furfuryl Mercaptan versus Furfuryl Alcohol
Chemistry - A European Journal, Vol. 24, Núm. 25, pp. 6564-6571
2017
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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
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Rotational spectra of tetracyclic quinolizidine alkaloids: Does a water molecule flip sparteine?
Physical Chemistry Chemical Physics, Vol. 19, Núm. 27, pp. 17553-17559
2016
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Cover Picture: Ti-Mediated Efficient Reductive Dehalogenation of Carbon–Halogen Bonds (Asian J. Org. Chem. 8/2016)
Asian Journal of Organic Chemistry
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Ti-Mediated Efficient Reductive Dehalogenation of Carbon–Halogen Bonds
Asian Journal of Organic Chemistry, Vol. 5, Núm. 8, pp. 991-1001
2011
2010
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Atomistic modeling of defect diffusion and interdiffusion in SiGe heterostructures
Thin Solid Films, Vol. 518, Núm. 9, pp. 2448-2453
2008
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Comprehensive model of damage accumulation in silicon
Journal of Applied Physics, Vol. 103, Núm. 1
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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
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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