Publicaciones en las que colabora con Adrián Varela Álvarez (15)

2013

  1. 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. Ruthenium(IV)-catalyzed isomerization of the C=C bond of O-allylic substrates: A theoretical and experimental study

    Chemistry - A European Journal, Vol. 17, Núm. 38, pp. 10583-10599

  2. 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. BCl3-mediated ene reaction of sulfur dioxide and-unfunctionalized alkenes

    Chemistry - A European Journal, Vol. 16, Núm. 20, pp. 5969-5975

  2. Canonical variational transition-state theory study of the CF 3CHFCH2F + OH reaction

    Journal of Physical Chemistry A, Vol. 114, Núm. 8, pp. 2768-2777

  3. Contribuciones teóricas al esclarecimiento del papel jugado por catalizadores y aditivos en algunas reacciones químicas fundamentales

    Contribuciones teóricas al esclarecimiento del papel jugado por catalizadores y aditivos en algunas reacciones químicas fundamentales

2009

  1. Desulfinylation of prop-2-enesulfinic acid: Experimental results and mechanistic theoretical analysis

    Journal of the American Chemical Society, Vol. 131, Núm. 27, pp. 9547-9561

  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

2008

  1. A suitable model for emeraldine salt

    Journal of Chemical Physics, Vol. 128, Núm. 17

  2. Canonical variational transition-state theory study of the CF 3CH2CH3 + OH reaction

    Journal of Physical Chemistry B, Vol. 112, Núm. 2, pp. 328-335

  3. Quantum calculations on the acid catalyzed rearrangements of norborn-5-en-2-one, 7-oxanorborn-5-en-2-one and 7-azanorborn-5-en-2-one. The electron-releasing effect of homoconjugated carbonyl group

    Applied Catalysis A: General, Vol. 336, Núm. 1-2, pp. 72-78

2007

  1. New organic chemistry of sulfur dioxide

    Accounts of Chemical Research, Vol. 40, Núm. 10, pp. 931-942

2006

  1. Bis(allyl)-ruthenium(IV) complexes as highly efficient catalysts for the redox isomerization of allylic alcohols into carbonyl compounds in organic and aqueous media: Scope, limitations, and theoretical analysis of the mechanism

    Journal of the American Chemical Society, Vol. 128, Núm. 4, pp. 1360-1370

  2. Mechanism of the diphenyldisulfone-catalyzed isomerization of alkenes. Origin of the chemoselectivity: Experimental and quantum chemistry studies

    Journal of the American Chemical Society, Vol. 128, Núm. 24, pp. 7782-7795

2005

  1. Doping of polyaniline by acid-base chemistry: Density functional calculations with periodic boundary conditions

    Journal of the American Chemical Society, Vol. 127, Núm. 32, pp. 11318-11327