Publicaciones en colaboración con investigadores/as de University College London (28)

2024

  1. BASECOL2023 scientific content

    Astronomy and Astrophysics, Vol. 683

  2. Molecular Tully Model Data Sets and Quantics files

    University College London

  3. Molecular Tully Model Data Sets and Quantics files

    University College London

  4. Non-Adiabatic Direct Quantum Dynamics using Force Fields: Towards Solvation

    University College London

  5. Non-adiabatic direct quantum dynamics using force fields: Toward solvation

    Journal of Chemical Physics, Vol. 160, Núm. 17

2023

  1. Benchmarking non-adiabatic quantum dynamics using the molecular Tully models

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 3, pp. 1829-1844

  2. Bioluminescence, photophysical, computational and molecular docking studies of fully conformationally restricted enamine infraluciferin

    Organic and Biomolecular Chemistry, Vol. 21, Núm. 14, pp. 2941-2949

  3. Do we need delocalised wavefunctions for the excited state dynamics of 1,1-difluoroethylene?

    Canadian Journal of Chemistry, Vol. 101, Núm. 9, pp. 745-757

  4. Quantics input files for 1,1-difluoroethylene

    University College London

  5. Quantics input files for 1,1-difluoroethylene

    University College London

  6. Synthesis and Bioluminescence of ‘V’-Shaped Firefly Luciferin Analogues Based on A Novel Benzobisthiazole Core

    Chemistry - A European Journal, Vol. 29, Núm. 69

2022

  1. Long-Life Aqueous Organic Redox Flow Batteries Enabled by Amidoxime-Functionalized Ion-Selective Polymer Membranes

    Angewandte Chemie - International Edition, Vol. 61, Núm. 38

  2. Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform

    Chemistry (Weinheim an der Bergstrasse, Germany), Vol. 28, Núm. 57, pp. e202203016

  3. Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform

    Chemistry - A European Journal, Vol. 28, Núm. 57

  4. Truncated conjugation in fused heterocycle-based conducting polymers: when greater planarity does not enhance conjugation

    Chemical Science, Vol. 14, Núm. 4, pp. 812-821

2021

  1. Micro-solvated DMABN: Excited state quantum dynamics and dual fluorescence spectra

    Molecules, Vol. 26, Núm. 23

  2. The role of conserved residues in the DEDDh Motif: The proton-Transfer mechanism of HIV-1 RNase H

    ACS Catalysis, Vol. 11, pp. 7915-7927

2020

  1. The role of vibronic coupling in the electronic spectroscopy of maleimide: A multi-mode and multi-state quantum dynamics study

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 43, pp. 25272-25283

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

2014

  1. Laboratory characterization and astrophysical detection of vibrationally excited states of vinyl cyanide in Orion-KL

    Astronomy and Astrophysics, Vol. 572