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2024

  • Vibrational, non-adiabatic and isotopic effects in the dynamics of the H2 + H2+ → H3+ + H reaction: application to plasma modelling
    Pablo del Mazo-Sevillano, Daniel Félix-González, Alfredo Aguado, Cristina Sanz-Sanz, Doo-Hyun Kwon, Octavio Roncero.
    Molecular Physics, 122, e2183071 (2024)
    Paper ARxiv

2023

  • Spin-Forbidden Addition of Molecular Oxygen to Stable Enol Intermediates—Decarboxylation of 2-Methyl-1-tetralone-2-carboxylic Acid
    Pablo Ortega, Sara Gil-Guerrero, Lola González-Sánchez, Cristina Sanz-Sanz, Pablo G Jambrina
    International Journal of Molecular Sciences, 24, 7424 (2023)
    Paper

  • The CH 3Σ+ Anion: Inelastic Rate Coefficients from Collisions with He at Interstellar Conditions
    Jorge Alonso de la Fuente, Cristina Sanz-Sanz, Lola Gonzalez-Sanchez, Ersin Yurtsever, Roland Wester, Francesco A Gianturco
    The Journal of Physical Chemistry A, 127, 765 (2023)
    Paper

  • Collision-induced state-changing rate coefficients for cyanogen backbones NCN 3Σ and CNN 3Σ in astrophysical environments
    Lola González-Sánchez, Ersin Yurtsever, Jorge Alonso de la Fuente, Cristina Sanz-Sanz, Roland Wester, Francesco A Gianturco
    Physical Chemistry Chemical Physics, 25, 30330 (2023)
    Paper

  • Potential energy surfaces for singlet and triplet states of the LiH2+ system and quasi-classical trajectory cross sections for H + LiH+ and H+ + LiH
    Javier Hernández-Rodríguez, Cristina Sanz-Sanz, Pedro Alberto Enríquez, Miguel González, Miguel Paniagua
    Physical Chemistry Chemical Physics, 25, 28052 (2023)
    Paper

2022

  • Mixed-quantum-classical or fully-quantized dynamics? A unified code to compare methods
    Jaimee Coonjobeeharry, Kaite Eryn Spinlove, Cristina Sanz Sanz, Marin Sapunar, Nadia Došlić, Graham A. Worth
    Philosophical Transactions of the Royal Society A, 380, 2223 (2022)
    Paper

  • Vibrational effects in the quantum dynamics of the H + D2+ charge transfer reaction
    Octavio Roncero, Vola Andrianarijaona, Alfredo Aguado, Cristina Sanz-Sanz
    Molecular Physics,120, e1948125 (2022)
    Paper

2021

  • Multi- and single-reference methods for the analysis of multi-state peroxidation of enolates
    Pablo Ortega, Sara Gil-Guerrero, Anzhela Veselinova, Alexandre Zanchet, Lola González-Sánchez, Pablo. G. Jambrina, Cristina Sanz-Sanz
    Journal Chemical Physics, 154, 144303 (2021)
    Paper

  • Near-resonant effects in the quantum dynamics of the H + H2+ → H2 + H+ charge transfer reaction and isotopic variants
    Cristina Sanz-Sanz, Alfredo Aguado, Octavio Roncero
    Journal of Chemical Physics, 154, 104104 (2021)
    Paper

  • DpgC‐Catalyzed Peroxidation of 3, 5‐Dihydroxyphenylacetyl‐CoA (DPA‐CoA): Insights into the Spin‐Forbidden Transition and Charge Transfer Mechanisms Pablo Ortega, Alexandre Zanchet, Cristina Sanz‐Sanz, Susana Gómez‐Carrasco, Lola González‐Sánchez, Pablo G Jambrina
    Chemistry–A European Journal, 27, 1700 (2021)
    Paper ChemRxiv

  • Three states global fittings with improved long range: Singlet and Triplet states of H3+
    Alfredo Aguado, Octavio Roncero, Cristina Sanz-Sanz
    Physical Chemistry Chemical Physics, 23, 7735 (2021)
    Paper

2019

  • Quantum Effects on the D + H3+ → H2D+ + H Deuteration Reaction and Isotopic Variants
    Niyazi Bulut, Alfredo Aguado, Cristina Sanz-Sanz, Octavio Roncero
    Journal of Physical Chemistry A, 123, 8766 (2019)
    Paper

  • Field modified spin–orbit potential curves of IBr. Preliminary dynamical results
    Cristina Sanz-Sanz, Graham A Worth
    Physical Chemistry Chemical Physics, 21, 14429 (2019)
    Paper