Publications by the researcher in collaboration with David Casanova Casas (16)

2024

  1. Reverse intersystem crossing mechanisms in doped triangulenes

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

2023

  1. Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates

    Molecules, Vol. 28, Núm. 1

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

  2. Impact of Charge-Resonance Excitations on CT-Mediated J-Type Aggregation in Singlet and Triplet Exciton States of Perylene Di-Imide Aggregates: A TDDFT Investigation

    Computation, Vol. 10, Núm. 2

2021

  1. A Trapezoidal Octacyanoquinoid Acceptor Forms Solution and Surface Products by Antiparallel Shape Fitting with Conformational Dipole Momentum Switch

    Angewandte Chemie - International Edition, Vol. 60, Núm. 33, pp. 17887-17892

  2. Engineering a light-driven cyanine based molecular rotor to enhance the sensitivity towards a viscous medium

    Materials Advances, Vol. 2, Núm. 14, pp. 4804-4813

  3. 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. 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