Publicaciones en colaboración con investigadores/as de Heriot-Watt University (17)

2020

  1. Computational studies of the solid-state molecular organometallic (SMOM) chemistry of Rh σ-alkane complexes

    Structure and Bonding (Springer Science and Business Media Deutschland GmbH), pp. 183-228

2015

  1. Combined experimental and computational investigations of rhodium-catalysed C-H functionalisation of pyrazoles with alkenes

    Chemistry - A European Journal, Vol. 21, Núm. 7, pp. 3087-3096

2014

  1. A combined experimental and computational study of fluxional processes in sigma amine-borane complexes of rhodium and iridium

    Dalton Transactions, Vol. 43, Núm. 29, pp. 11118-11128

  2. Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-H functionalization of pyrazoles with alkynes

    Journal of Organic Chemistry, Vol. 79, Núm. 5, pp. 1954-1970

  3. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation

    Chemical Science, Vol. 5, Núm. 6, pp. 2546-2553

  4. Selective hydrogenation of benzoic acid over Au supported on CeO 2 and Ce0.62Zr0.38O2: Formation of benzyl alcohol

    Journal of Catalysis, Vol. 317, pp. 114-125

2013

  1. Bimetallic complexes for enhancing catalyst efficiency: Probing the relationship between activity and intermetallic distance

    Organometallics, Vol. 32, Núm. 18, pp. 5071-5081

  2. Computational study of the double C–Cl bond activation of dichloromethane and phosphine alkylation at [CoCl(PR3)3]

    Journal of the Chemical Society. Dalton Transactions, Vol. 42, Núm. 12, pp. 4208-4217

  3. Mechanistic Studies of CX Bond Activation at Transition-Metal Centers

    Comprehensive Inorganic Chemistry II (Second Edition): From Elements to Applications (Elsevier Ltd), pp. 635-694

  4. Reducible support effects in the gas phase hydrogenation of p-chloronitrobenzene over gold

    Journal of Physical Chemistry C, Vol. 117, Núm. 2, pp. 994-1005

  5. Synthesis, electronic structure, and magnetism of [Ni(6-Mes) 2]+: A two-coordinate nickel(I) complex stabilized by bulky N-heterocyclic carbenes

    Journal of the American Chemical Society, Vol. 135, Núm. 37, pp. 13640-13643

  6. Three-coordinate nickel(i) complexes stabilised by six-, seven- and eight-membered ring N-heterocyclic carbenes: Synthesis, EPR/DFT studies and catalytic activity

    Chemistry - A European Journal, Vol. 19, Núm. 6, pp. 2158-2167

2012

  1. Natural bond orbital analysis of the electronic structure of [L nM(CH 3)] and [L nM(CF 3)] complexes

    Organometallics, Vol. 31, Núm. 4, pp. 1467-1476

  2. Photochemistry of Cp′Mn(CO) 2(NHC) (Cp′ = η 5-C 5H 4Me) species: Synthesis, time-resolved ir spectroscopy, and DFT calculations

    Organometallics, Vol. 31, Núm. 14, pp. 4971-4979

  3. Synthesis and characterization of a rhodium(I) σ-alkane complex in the solid state

    Science, Vol. 337, Núm. 6102, pp. 1648-1651

2009

  1. A comparison of ZnMgSSe and MgS wide bandgap semiconductors used as barriers: Growth, structure and luminescence properties

    Journal of Crystal Growth, Vol. 311, Núm. 7, pp. 2099-2101

2006

  1. Direct experimental evidence of metastable epitaxial zinc-blende MgS

    Applied Physics Letters, Vol. 89, Núm. 12