Publicaciones en colaboración con investigadores/as de Instituto de Física Fundamental (27)

2024

  1. Dynamical effects on the O(3P) + D2 reaction and its impact on the Λ-doublet population

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 8, pp. 6752-6762

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

  2. Multi- and single-reference methods for the analysis of multi-state peroxidation of enolates

    Journal of Chemical Physics, Vol. 154, Núm. 14

  3. Quantum study of reaction O (3P) + H2(v,j) → OH + H: OH formation in strongly UV-irradiated gas

    Astronomy and Astrophysics, Vol. 648

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

2016

  1. Product lambda-doublet ratios as an imprint of chemical reaction mechanism

    Nature Communications, Vol. 7

2015

  1. Accurate Time-Dependent Wave Packet Calculations for the O+ + H2 → OH+ + H Ion-Molecule Reaction

    Journal of Physical Chemistry A, Vol. 119, Núm. 50, pp. 11951-11962

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

2011

  1. Energy dependent dynamics of the O(1D) + HCl reaction: A quantum, quasiclassical and statistical study

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 18, pp. 8502-8514

  2. Quantum stereodynamics of Li + HF reactive collisions: The role of reactants polarization on the differential cross section

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 30, pp. 13656-13669

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

  2. Effects of the rotational excitation of D2 and of the potential energy surface on the H+ + D2 →hD+ D+ reaction

    Journal of Chemical Physics, Vol. 131, Núm. 4

  3. The dynamics of the O(1D) + HCl →OH + Cl reaction at a 0.26 eV Collision energy: a comparison between theory and experiment

    Journal of Physical Chemistry A, Vol. 113, Núm. 52, pp. 14237-14250

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