Publicacións nas que colabora con CARLOS SILVA LOPEZ (84)

2024

  1. Deciphering Nitroaromatics Reduction: Theoretical Insights into Dioxomolybdenum Catalysis with Biomass-Derived Pinacol

    ChemCatChem

2022

  1. On the mechanism of the Au(I)-mediated addition of alkynes to anthranils to furnish 7-acylindoles

    Journal of Physical Organic Chemistry, Vol. 35, Núm. 11

2021

  1. Enantioselective CO2 Fixation Via a Heck-Coupling/Carboxylation Cascade Catalyzed by Nickel

    Chemistry - A European Journal, Vol. 27, Núm. 28, pp. 7657-7662

  2. Overview of the computational methods to assess aromaticity

    Aromaticity: modern computational methods and applications (Elsevier Science), pp. 41-70

2020

  1. Acetate-catalyzed hydroboration of CO2 for the selective formation of methanol-equivalent products

    Catalysis Science and Technology, Vol. 10, Núm. 8, pp. 2407-2414

  2. Au(III) catalyzes the cross-coupling between activated methylenes and alkene derivatives

    Journal of Catalysis, Vol. 392, pp. 159-164

  3. The effect of solvation in torquoselectivity: Ring opening of monosubstituted cyclobutenes

    Organic and Biomolecular Chemistry, Vol. 18, Núm. 32, pp. 6287-6296

  4. The key role of protodeauration in the gold-catalyzed reaction of 1,3-diynes with pyrrole and indole to form complex heterocycles

    Organic Chemistry Frontiers, Vol. 7, Núm. 8, pp. 997-1005

2019

  1. Computational and experimental studies on Cu/Au-catalyzed stereoselective synthesis of 1,3-disubstituted allenes

    Organic Chemistry Frontiers, Vol. 6, Núm. 11, pp. 1780-1786

  2. Gold-catalyzed homogeneous (Cyclo)Isomerization Reactions

    Frontiers in Chemistry, Vol. 7, Núm. APR

  3. Lennard-Jones Intermolecular Potentials for the Description of 6-Membered Aromatic Heterocycles Interacting with the Isoelectronic CO2 and CS2

    Journal of Physical Chemistry A, Vol. 123, Núm. 20, pp. 4475-4485

  4. Methanol directing the dual reactivity of 1,3-dien-5-ynes under gold(I) catalysis: A computational study

    Computational and Theoretical Chemistry, Vol. 1148, pp. 33-37

  5. On the use of popular basis sets: Impact of the intramolecular basis set superposition error

    Molecules, Vol. 24, Núm. 20

  6. Phosphine-Catalyzed Stereoselective Dearomatization of 3-NO2-Indoles with Allenoates

    Journal of Organic Chemistry, Vol. 84, Núm. 10, pp. 6347-6355

  7. Pushing the limits of concertedness. A waltz of wandering carbocations

    Chemical Science, Vol. 10, Núm. 7, pp. 2159-2170

2018

  1. Diseño racional in silico de nuevas nanoestructuras de tipo dador‐aceptor en forma de anillo para una captura eficiente de herbicidas de amonio cuaternario

    La investigación del Grupo Especializado de Termodinámica de las Reales Sociedades Españolas de Física y Química.: Volumen 9. Año 2018

  2. Mechanism of the Molybdenum-Mediated Cadogan Reaction

    ACS Omega, Vol. 3, Núm. 6, pp. 7019-7026

  3. Nickel catalyzed regio- and stereoselective arylation and methylation of allenamides via coupling reactions. An experimental and computational study

    Organic Chemistry Frontiers, Vol. 5, Núm. 22, pp. 3231-3239

  4. Nitrogen doped nanohoops as promising CO2 capturing devices

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 13, pp. 8607-8615

  5. Profundización teórica sobre interacciones intermoleculares que involucran un σ‐hole. La electrostática no siempre controla el enlace calcógeno

    La investigación del Grupo Especializado de Termodinámica de las Reales Sociedades Españolas de Física y Química.: Volumen 9. Año 2018