Publicaciones en colaboración con investigadores/as de Instituto de Física Fundamental (18)

2022

  1. Spin-orbit transitions in the N + (P J A 3) + H 2 → NH+(X 2Π,4ς-) + H(2S) reaction, using adiabatic and mixed quantum-adiabatic statistical approaches

    Journal of Chemical Physics, Vol. 157, Núm. 8

2021

  1. DpgC-Catalyzed Peroxidation of 3,5-Dihydroxyphenylacetyl-CoA (DPA-CoA): Insights into the Spin-Forbidden Transition and Charge Transfer Mechanisms**

    Chemistry - A European Journal, Vol. 27, Núm. 5, pp. 1700-1712

2018

  1. A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the H2 + H3+ → H3+ + H2 Reaction

    Journal of Physical Chemistry Letters, Vol. 9, Núm. 9, pp. 2133-2137

2014

  1. OH+in astrophysical media: State-to-state formation rates, einstein coefficients and inelastic collision rates with He

    Astrophysical Journal, Vol. 794, Núm. 1

  2. State-to-state quantum wave packet dynamics of the LiH + H reaction on two AB initio potential energy surfaces

    Astrophysical Journal, Vol. 784, Núm. 1

2012

  1. Dynamically biased statistical model for the ortho/para conversion in the H 2+H 3 + → H 3 + + H 2 reaction

    Journal of Chemical Physics, Vol. 137, Núm. 9

  2. Wave packet calculations on nonadiabatic effects for the O( 3P)HF( 1Σ) reaction under hyperthermal conditions

    Journal of Chemical Physics, Vol. 137, Núm. 11

2010

  1. Nonadiabatic state-to-state reactive collisions among open shell reactants with conical intersections: The OH(2II) + F(2P) example

    Journal of Physical Chemistry A, Vol. 114, Núm. 36, pp. 9733-9742

2009

  1. Differential cross sections and product rotational polarization in A + BC reactions using wave packet methods: H+ +D2 and Li + HF examples

    Journal of Physical Chemistry A, Vol. 113, Núm. 52, pp. 14488-14501

2008

  1. Modeling the global potential energy surface of the N + N2 reaction from ab initio data

    Physical Chemistry Chemical Physics, Vol. 10, Núm. 18, pp. 2552-2558

2007

  1. Transition state spectroscopy of open shell systems: Angle-resolved photodetachment spectra for the adiabatic singlet states of OHF

    Journal of Photochemistry and Photobiology A: Chemistry, Vol. 190, Núm. 2-3, pp. 145-160

2006

  1. Coordinate transformation methods to calculate state-to-state reaction probabilities with wave packet treatments

    Journal of Chemical Physics, Vol. 125, Núm. 5

  2. Coupled diabatic potential energy surfaces for studying the nonadiabatic dynamics at conical intersections in angular resolved photodetachment simulations of OHF̄ → OHF + ē

    Journal of Chemical Physics, Vol. 125, Núm. 16

2004

  1. Direct versus resonances mediated F+OH collisions on a new 3A″ potential energy surface

    Journal of Chemical Physics, Vol. 121, Núm. 10, pp. 4605-4618

  2. Dynamics and kinetics of the F + OH reaction on the ground triplet potential energy surface

    Chemical Physics Letters, Vol. 383, Núm. 1-2, pp. 25-30

  3. Photodetachment spectrum of OHF-: Three-dimensional study of the heavy-light-heavy resonances

    Journal of Chemical Physics, Vol. 121, Núm. 1, pp. 309-320

  4. Quantum stereodynamics of the F + OH(v, j) reactive collision on the 1 3A″ state

    Molecular Physics, Vol. 102, Núm. 21-22, pp. 2381-2392

  5. Transition state dynamics of OHF on several electronic states: Photodetachment spectrum of OHF- and conical intersections

    Journal of Chemical Physics, Vol. 121, Núm. 20, pp. 9865-9875