Publicacións nas que colabora con ANTONIO FERNANDEZ RAMOS (20)

2018

  1. Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals

    Journal of Physical Chemistry A, Vol. 122, Núm. 21, pp. 4790-4800

2014

  1. Unraveling the factors that control soft landing of small silyl ions on fluorinated self-assembled monolayers

    Journal of Physical Chemistry C, Vol. 118, Núm. 19, pp. 10159-10169

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

2005

  1. Quasiclassical dynamics simulation of the collision-induced dissociation of Cr (CO)6 + with Xe

    Journal of Chemical Physics, Vol. 123, Núm. 15

  2. Quasiclassical trajectory study of the F + CH4 reaction dynamics on a dual-level interpolated potential energy surface

    Journal of Physical Chemistry A, Vol. 109, Núm. 38, pp. 8459-8470

  3. Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: The importance of zero-point-energy effects

    Journal of Physical Chemistry A, Vol. 109, Núm. 24, pp. 5415-5423

2003

  1. A Direct Classical Trajectory Study of HCl Elimination from the 193 nm Photodissociation of Vinyl Chloride

    Journal of Physical Chemistry A, Vol. 107, Núm. 38, pp. 7611-7618

  2. A direct DFT dynamics study of the photodissociation of triplet acetaldehyde

    Chemical Physics Letters, Vol. 375, Núm. 5-6, pp. 591-597

  3. A direct classical trajectory study of the acetone photodissociation on the triplet surface

    Journal of Chemical Physics, Vol. 119, Núm. 20, pp. 10618-10625

  4. Direct dynamics study of the photodissociation of triplet propanal at threshold

    Renewable and Sustainable Energy Reviews, Vol. 7, Núm. 6, pp. 37-44

  5. Dissociation of difluoroethylenes. I. Global potential energy surface, RRKM, and VTST calculations

    Journal of Physical Chemistry A, Vol. 107, Núm. 9, pp. 1389-1397

  6. Dissociation of difluoroethylenes. II. Direct classical trajectory study of the HF elimination from 1,2-difluoroethylene

    Journal of Physical Chemistry A, Vol. 107, Núm. 9, pp. 1398-1404

  7. Dynamics calculations for the Cl+C2H6 abstraction reaction: Thermal rate constants and kinetic isotope effects

    Journal of Chemical Physics, Vol. 118, Núm. 14, pp. 6280-6288

  8. Product energy distributions from ethylene photodissociation at 193 nm: A DFT direct classical trajectory study

    Chemical Physics Letters, Vol. 369, Núm. 1-2, pp. 1-7

  9. Quasi-classical trajectory study of H2 elimination in the photodissociation of difluoroethylenes at 193 nm

    Journal of Chemical Physics, Vol. 118, Núm. 15, pp. 6941-6945

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

2001

  1. Rate constants and isotope effects for the CH3+H2 → CH4+H reaction by an approximate semiclassical initial-value representation method

    Chemical Physics Letters, Vol. 341, Núm. 3-4, pp. 351-357

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