Publications dans lesquelles il/elle collabore avec HAYDEE VALDES GONZALEZ (8)

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

2009

  1. Polyisocyanides of titanium

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

2008

  1. 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

2007

  1. A theoretical study of the [FeCN]+ system: Cyanide-isocyanide competition and isomerization barrier

    Chemical Physics Letters, Vol. 445, Núm. 1-3, pp. 22-27

  2. Cyanides and isocyanides of first-row transition metals: Molecular structure, bonding, and isomerization barriers

    Journal of Physical Chemistry A, Vol. 111, Núm. 28, pp. 6334-6344

2001

  1. High-level ab initio predictions of CO2···N2O structure

    International Journal of Quantum Chemistry

2000

  1. The tetrahydropyranHCl dimer: A theoretical study

    Chemical Physics Letters, Vol. 320, Núm. 5-6, pp. 507-512

1999

  1. On the violation of Legon-Millen's rules for predicting angular geometries of hydrogen-bonded dimers: An ab initio study

    Chemical Physics Letters, Vol. 309, Núm. 3-4, pp. 265-273