Publicaciones en las que colabora con Tomás Sordo Gonzalo (35)

2008

  1. Low-temperature N-O bond cleavage of nitrogen monoxide in heterometallic carbonyl complexes. An experimental and theoretical study

    Inorganic Chemistry, Vol. 47, Núm. 22, pp. 10644-10655

2006

  1. A theoretical study of rhodium(I) catalyzed carbonylative ring expansion of aziridines to β-lactams: Crucial activation of the breaking C-N bond by hyperconjugation

    Journal of Organic Chemistry, Vol. 71, Núm. 19, pp. 7315-7321

  2. Formation of trichlorinated dibenzo-p-dioxins from 2,4-dichlorophenol and 2,4,5-trichlorophenolate: A theoretical study

    ChemPhysChem, Vol. 7, Núm. 11, pp. 2331-2338

  3. Theoretical studies on the ring opening of β-lactams: Processes in solution and in enzymatic media

    Current Organic Chemistry, Vol. 10, Núm. 7, pp. 805-821

2005

  1. A theoretical analysis of the coordination modes of CuII with penicillins: Activation of the β-lactam C-N bond

    ChemPhysChem, Vol. 6, Núm. 2, pp. 344-351

  2. Relative Gibbs energies in solution through continuum models: Effect of the loss of translational degrees of freedom in bimolecular reactions on gibbs energy barriers

    Journal of Physical Chemistry B, Vol. 109, Núm. 49, pp. 23618-23623

  3. Stereodynamics of bond rotation in tertiary 1-naphthoic acid amides: A computational study

    Journal of Computational Chemistry, Vol. 26, Núm. 4, pp. 365-373

  4. The formation of silylated β-lactams from silylketenes through Lewis acid promoted [2+2] cycloaddition: A combined theoretical and experimental study

    European Journal of Organic Chemistry, pp. 2599-2606

2004

  1. A density functional theory study of N2O formation from the reaction of NO with pyridine and with acridine

    Theoretical Chemistry Accounts

  2. An ab initio study of the reaction of propargyl cation with water

    Journal of Molecular Structure: THEOCHEM, Vol. 683, Núm. 1-3, pp. 81-87

2003

  1. Structural divergence in the products of the reaction of [MoCl(η3-C3H5)(CO)2(dmpm)] with nucleophiles

    Organometallics, Vol. 22, Núm. 7, pp. 1540-1545

2002

  1. An ab initio study of the reaction of propargyl cation with ammonia

    Journal of Physical Chemistry A, Vol. 106, Núm. 18, pp. 4616-4622

2001

  1. An ab initio study of the reaction of CH2F+ with acetylene

    Journal of Molecular Structure: THEOCHEM, Vol. 537, Núm. 1, pp. 193-198

  2. Rearrangements involving the phenonium ion: A theoretical investigation

    Journal of the American Chemical Society, Vol. 123, Núm. 21, pp. 5064-5068

2000

  1. A Theoretical Study of the Reaction of HCO+ with C2H2

    Journal of Computational Chemistry, Vol. 21, Núm. 1, pp. 35-42

  2. On the structure of phenonium ions: The important role of back-bonding interaction in carbocation chemistry

    Journal of Physical Chemistry A, Vol. 104, Núm. 23, pp. 5568-5571

1999

  1. Ab initio study of the reaction of CHO+ with H2O and NH3

    Journal of Computational Chemistry, Vol. 20, Núm. 13, pp. 1432-1443

1998

  1. A theoretical analysis of the π attack of CH2F+ on acetylene

    Journal of Molecular Structure: THEOCHEM, Vol. 429, Núm. 1-3, pp. 275-279

  2. A theoretical study of the H2 elimination from C2H5+

    Journal of Physical Chemistry A, Vol. 102, Núm. 34, pp. 6831-6834

  3. Theoretical study of ester enolate-imine condensation route to β-lactams

    Journal of Computational Chemistry, Vol. 19, Núm. 16, pp. 1826-1833