Publicacións en colaboración con investigadores/as de University College London (10)

2024

  1. 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. 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. 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

  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. 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

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