Publicacións en colaboración con investigadores/as de Universidad de Valladolid (37)

2020

  1. Experimental and DFT Study of the [AuAr(AsPh3)]-Catalyzed cis/trans Isomerization of [PdAr2(AsPh3)2] (Ar = C6F5or C6Cl2F3): Alternative Mechanisms and Its Switch upon Pt for Pd Substitution

    Organometallics, Vol. 39, Núm. 12, pp. 2295-2303

2017

  1. Speciation of ZnMe2, ZnMeCl, and ZnCl2 in Tetrahydrofuran (THF), and Its Influence on Mechanism Calculations of Catalytic Processes

    ACS Catalysis, Vol. 7, Núm. 5, pp. 3575-3583

2016

  1. The Negishi Catalysis: Full Study of the Complications in the Transmetalation Step and Consequences for the Coupling Products

    Organometallics, Vol. 35, Núm. 20, pp. 3604-3611

2015

  1. Organometallic Nucleophiles and Pd: What Makes ZnMe2 Different? Is Au Like Zn?

    Organometallics, Vol. 34, Núm. 13, pp. 3120-3128

2013

  1. Stille coupling involving bulky groups feasible with gold cocatalyst

    Angewandte Chemie - International Edition, Vol. 52, Núm. 8, pp. 2189-2193

  2. Thermal conductivity and specific heat capacity measurements of Al 2O3 nanofluids

    Journal of Thermal Analysis and Calorimetry, Vol. 111, Núm. 2, pp. 1615-1625

2012

  1. Strong metallophilic interactions in the palladium arylation by gold aryls

    Angewandte Chemie - International Edition, Vol. 51, Núm. 20, pp. 4917-4920

2011

  1. CuO in water nanofluid: Influence of particle size and polydispersity on volumetric behaviour and viscosity

    Fluid Phase Equilibria, Vol. 300, Núm. 1-2, pp. 188-196

  2. Enantioselective conjugate addition of nitro compounds to α,β-unsaturated ketones: An experimental and computational study

    Chemistry - A European Journal, Vol. 17, Núm. 21, pp. 5931-5938

2010

  1. A DFT study of the effect of the ligands in the reductive elimination from palladium bis(allyl) complexes

    Organometallics, Vol. 29, Núm. 21, pp. 4983-4991

2009

  1. A study on stability and thermophysical properties (density and viscosity) of Al2 O3 in water nanofluid

    Journal of Applied Physics, Vol. 106, Núm. 6

  2. C-C reductive elimination in palladium complexes, and the role of coupling additives. A DFT study supported by experiment

    Journal of the American Chemical Society, Vol. 131, Núm. 10, pp. 3650-3657

1997

  1. A theoretical study of the dynamics of the reaction of P+ with ammonia

    Molecular Physics, Vol. 92, Núm. 4, pp. 743-756

1995

  1. A theoretical study of the reaction of Si+ with ammonia

    Chemical Physics Letters, Vol. 240, Núm. 1-3, pp. 193-198

1994

  1. A theoretical study of the reaction of P+ with water. Potential energy surfaces and reaction dynamics

    Chemical Physics Letters, Vol. 230, Núm. 4-5, pp. 358-364

  2. High‐precision atomic computations from finite element techniques: Second‐order correlation energies for Be, Ca, Sr, Cd, Ba, Yb, and Hg

    Journal of Computational Chemistry, Vol. 15, Núm. 7, pp. 782-790

  3. Reactions of CH3+ with second-row atoms: An ab initio study

    Journal of Physical Chemistry, Vol. 98, Núm. 4, pp. 1090-1099

1993

  1. Accurate second‐order correlation energies for Mg and Ar

    International Journal of Quantum Chemistry, Vol. 45, Núm. 6, pp. 563-572

  2. High precision atomic computations from finite element techniques: Second-order correlation energies of rare gas atoms

    The Journal of Chemical Physics, Vol. 98, Núm. 7, pp. 5642-5647

1992

  1. Computation of the second-order correlation energies of Ne using a finite-element method

    Physical Review A, Vol. 46, Núm. 9, pp. 6063-6066