Publicaciones en colaboración con investigadores/as de Universidad Autónoma de Madrid (41)

2023

  1. Collision-induced state-changing rate coefficients for cyanogen backbones NCN 3Σ− and CNN 3Σ− in astrophysical environments

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 44, pp. 30330-30342

  2. Li + HF and Li + HCl Reactions Revisited I: QCT Calculations and Simulation of Experimental Results

    The journal of physical chemistry. A, Vol. 127, Núm. 33, pp. 6924-6944

  3. Spin-Forbidden Addition of Molecular Oxygen to Stable Enol Intermediates—Decarboxylation of 2-Methyl-1-tetralone-2-carboxylic Acid

    International Journal of Molecular Sciences, Vol. 24, Núm. 8

  4. The CH-3Σ+ Anion: Inelastic Rate Coefficients from Collisions with He at Interstellar Conditions

    Journal of Physical Chemistry A, Vol. 127, Núm. 3, pp. 765-774

  5. Universal behavior in complex-mediated reactions: Dynamics of S(1D) + o-D2 → D + SD at low collision energies

    Journal of Chemical Physics, Vol. 158, Núm. 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

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

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

2020

  1. Unveiling shape resonances in H + HF collisions at cold energies

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 43, pp. 24943-24950

2019

  1. Role of the Structure of Graphene Oxide Sheets on the CO2 Adsorption Properties of Nanocomposites Based on Graphene Oxide and Polyaniline or Fe3O4-Nanoparticles

    ACS Sustainable Chemistry and Engineering, Vol. 7, Núm. 14, pp. 12464-12473

2018

  1. Non-intuitive rotational reorientation in collisions of NO(A 2 Σ + ) with Ne from direct measurement of a four-vector correlation

    Nature Chemistry, Vol. 10, Núm. 11, pp. 1148-1153

  2. 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

  3. Angular momentum-scattering angle quantum correlation: A generalized deflection function

    Chemical Science, Vol. 9, Núm. 21, pp. 4837-4850

  4. Λ-Doublet Propensities for Reactions on Competing A ′ and A ″ Potential Energy Surfaces: O(3 P) + N2 and O(3 P) + HCl

    Journal of Physical Chemistry A, Vol. 122, Núm. 10, pp. 2739-2750

2017

  1. Insights into functions of the H channel of cytochrome c oxidase from atomistic molecular dynamics simulations

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 114, Núm. 48, pp. E10339-E10348

  2. The dynamics of the Hg + Br2 reaction: Elucidation of the reaction mechanism for the Br exchange reaction

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 25, pp. 16433-16445

2015

  1. Beyond universality: Parametrizing ultracold complex-mediated reactions using statistical assumptions

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 91, Núm. 3

  2. Cold and ultracold dynamics of the barrierless D+ + H2 reaction: Quantum reactive calculations for ∼ R -4 long range interaction potentials

    Journal of Chemical Physics, Vol. 143, Núm. 20

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

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