Publicaciones en las que colabora con David Casanova Casas (13)

2024

  1. Reverse intersystem crossing mechanisms in doped triangulenes

    Physical Chemistry Chemical Physics

2022

  1. Generation of multiple triplet states in an orthogonal bodipy dimer: a breakthrough spectroscopic and theoretical approach

    Physical chemistry chemical physics : PCCP, Vol. 24, Núm. 10, pp. 5929-5938

2021

  1. Mild Open-Shell Character of BODIPY and Its Impact on Singlet and Triplet Excitation Energies

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 9, pp. 5825-5838

  2. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Journal of Chemical Physics, Vol. 155, Núm. 8

2020

  1. Fluorescent bicolour sensor for low-background neutrinoless double β decay experiments

    Nature, Vol. 583, Núm. 7814, pp. 48-54

  2. The role of CT excitations in PDI aggregates

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 28, pp. 15908-15918

2019

  1. Chirality Induced Spin Selectivity of Photoexcited Electrons in Carbon-Sulfur [n]Helicenes

    ChemPhotoChem, Vol. 3, Núm. 9, pp. 770-777

  2. Fluoreno[2,1-a] fluorene: An ortho -naphthoquinodimethane-based system with partial diradical character

    Chemical Communications, Vol. 55, Núm. 94, pp. 14186-14189

  3. Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis

    ChemPhysChem, Vol. 20, Núm. 19, pp. 2443-2450

2017

  1. Breaking Bonds and Forming Nanographene Diradicals with Pressure

    Angewandte Chemie - International Edition, Vol. 56, Núm. 51, pp. 16212-16217

  2. Photosensitization mechanism of Cu(II) porphyrins

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 31, pp. 20533-20540

2016

  1. Exact exchange–correlation functional for the infinitely stretched hydrogen molecule

    Theoretical Chemistry Accounts, Vol. 135, Núm. 9

  2. Plasmonic Resonances in the Al13- Cluster: Quantification and Origin of Exciton Collectivity

    Journal of Physical Chemistry C, Vol. 120, Núm. 23, pp. 12742-12750