Publicaciones en colaboración con investigadores/as de Universidad de Oviedo (202)

2024

  1. Structure and Spectroscopic Insights for CH3PCO Isomers: A High-Level Quantum Chemical Study

    Journal of Physical Chemistry A, Vol. 128, Núm. 20, pp. 4083-4091

2019

  1. Molybdenum and rhenium carbonyl complexes containing thiolato ligands

    Journal of Organometallic Chemistry, Vol. 896, pp. 113-119

2016

  1. Polyphosphazenes for the Stille reaction: A new type of recyclable stannyl reagent

    Dalton Transactions, Vol. 45, Núm. 5, pp. 2227-2236

2014

  1. Halogen-abstraction reactions from chloromethane and bromomethane molecules by alkaline-earth monocations

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 30, pp. 16121-16136

2013

  1. Kinetics studies of the reactions of main fourth-period monocations (Ga+, Ge+, As+, and Se+) with methyl fluoride

    Journal of Physical Chemistry A, Vol. 117, Núm. 33, pp. 7742-7753

  2. Reactivity of first-row transition metal monocations (Sc+, Ti+, V+, Zn+) with methyl fluoride: A computational study

    Journal of Physical Chemistry A, Vol. 117, Núm. 14, pp. 2932-2943

2011

  1. Ab initio benchmark calculations on Ca(II) complexes and assessment of density functional theory methodologies

    Journal of Physical Chemistry A, Vol. 115, Núm. 41, pp. 11331-11343

  2. Synthesis and decarbonylation reactions of the triiron phosphinidene complex [Fe3Cp3(μ-H)(μ3-PPh)(CO) 4]: Easy cleavage and formation of P-H and Fe-Fe bonds

    Inorganic Chemistry, Vol. 50, Núm. 21, pp. 10937-10948

  3. Theoretical study of the C-F bond activation in methyl fluoride by alkaline-earth metal monocations

    Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 609-618

2010

  1. 1,3,5-Tris(thiocyanatomethyl)mesitylene as a Ligand. Pseudooctahedral molybdenum, manganese, and rhenium carbonyl complexes and copper and silver dimers. Copper-catalyzed carbene- and nitrene-transfer reactions

    Inorganic Chemistry, Vol. 49, Núm. 15, pp. 6974-6985

2009

  1. Ar-BIAN Copper(I) complexes as catalysts in carbene and nitrene transfer reactions

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  2. Gas-phase reaction between calcium monocation and fluoromethane: Analysis of the potential energy hypersurface and kinetics calculations

    Journal of Chemical Physics, Vol. 131, Núm. 14

  3. Metal complexes with two different hydrogen-bond donor ligands as anion hosts

    Chemical Communications, pp. 3279-3281

  4. Polyisocyanides of titanium

    Journal of Physical Chemistry A, Vol. 113, Núm. 8, pp. 1574-1577

  5. Synthesis of new copper(i) complexes with tris(2-pyridyl) ligands. Applications to carbene and nitrene transfer reactions

    Journal of the Chemical Society. Dalton Transactions, pp. 375-382

2008

  1. A new route for the synthesis of an alkylideneamido complex

    New Journal of Chemistry, Vol. 32, Núm. 6, pp. 917-919

  2. Activation of two C-H bonds of NHC N-methyl groups on triosmium and triruthenium carbonyl clusters

    Dalton Transactions, pp. 1937-1942

  3. From an N-methyl N-heterocyclic carbene to carbyne and carbide ligands via multiple C-H and C-N bond activations

    Angewandte Chemie - International Edition, Vol. 47, Núm. 10, pp. 1920-1922

  4. Monoligand Zn(II) complexes: Ab initio benchmark calculations and comparison with density functional theory methodologies

    Journal of Chemical Theory and Computation, Vol. 4, Núm. 2, pp. 243-256

  5. Reactivity of N-heterocyclic carbenes with [Ru3(CO) 12] and [Os3(CO)12]. Influence of ligand volume and electronic effects

    Organometallics, Vol. 27, Núm. 2, pp. 211-217