Publicacións nas que colabora con Miguel Ángel Ríos Fernández (10)

2011

  1. Erratum: Direct-dynamics VTST study of the [1,7] hydrogen shift in 7-methylocta-1,3-(Z),5(Z)-triene. A model system for the hydrogen transfer reaction in previtamin D3 (Journal of Physical Chemistry A (2007) 111 (719-725) DOI: 10.1021/jp0665269)

    Journal of Physical Chemistry A

2007

  1. Direct-dynamics VTST study of the [1,7] hydrogen shift in 7-methylocta-1,3(Z),5(Z)-triene. A model system for the hydrogen transfer reaction in previtamin D3

    Journal of Physical Chemistry A, Vol. 111, Núm. 4, pp. 719-725

  2. Hydrogen transfer vs proton transfer in 7-hydroxy-quinoline·(NH 3)3: A CASSCF/ CASPT2 study

    Journal of Physical Chemistry A

2002

  1. Rate constrants and kinetic isotope effects for Cl + CH4 → ClH + CH3: A comparison between LSC-IVR and statistical theories

    Chemical Physics Letters, Vol. 360, Núm. 1-2, pp. 59-64

1999

  1. Direct-dynamics approaches to proton tunneling rate constants. A comparative test for molecular inversions and an application to 7-azaindole tautomerization

    Journal of the American Chemical Society, Vol. 121, Núm. 26, pp. 6280-6289

  2. Intramolecular proton transfer in 2-(2'-hydroxyphenyl)benzoxazole: The reliability of ab initio calculations on simplified structures

    Journal of Molecular Structure: THEOCHEM, Vol. 489, Núm. 2-3, pp. 255-262

1998

  1. Direct dynamic study of the dissociation and elimination channels in the thermal decomposition of methyl nitrite

    Journal of the American Chemical Society, Vol. 120, Núm. 30, pp. 7594-7601

  2. High level and dual level direct dynamics in the intramolecular proton transfer of hydrogenoxalate anion. Influence of tunneling and isotopic effect

    Journal of Physical Chemistry A, Vol. 102, Núm. 17, pp. 2954-2961

1997

  1. Intramolecular proton transfer direct dynamics in the glycolate anion: Isotope effects

    Journal of Chemical Physics, Vol. 107, Núm. 7, pp. 2407-2414

1996

  1. A comparison of two methods for direct tunneling dynamics: Hydrogen exchange in the glycolate anion as a test case

    Journal of Chemical Physics, Vol. 106, Núm. 10, pp. 3956-3964