Publikationen, an denen er mitarbeitet David Casanova Casas (12)

2024

  1. Reverse intersystem crossing mechanisms in doped triangulenes

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 15, pp. 11459-11468

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

2020

  1. 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. Improvement of the electrochemical and singlet fission properties of anthraquinones by modification of the diradical character

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 15, pp. 7941-7952

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

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

2018

  1. Potential Use of Squarates and Croconates as Singlet Fission Sensitizers

    ChemPhysChem, Vol. 19, Núm. 17, pp. 2224-2233

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

  3. Theoretical design of conjugated diradicaloids as singlet fission sensitizers: Quinones and methylene derivatives

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 44, pp. 30227-30238

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