David Casanova
Affiliations: | Donostia International Physics Center |
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Sign in to add trainee| Roberto A. Boto | post-doc | 2022- | Donostia International Physics Center |
| Juan Carlos Roldao | post-doc | 2022-2023 | Donostia International Physics Center |
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Publications
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| Agrawal S, Wang B, Wu Y, et al. (2024) Photocatalytic activity of dual defect modified graphitic carbon nitride is robust to tautomerism: machine learning assisted quantum dynamics. Nanoscale. 16: 8986-8995 |
| Preethalayam P, Roldao JC, Castet F, et al. (2024) 3,4-Dimethylenecyclobutene: A Building Block for Design of Macrocycles with Excited State Aromatic Low-Lying High-Spin States. Chemistry (Weinheim An Der Bergstrasse, Germany). e202303549 |
| Medina Rivero S, Alonso-Navarro MJ, Tonnelé C, et al. (2023) V-Shaped Tröger Oligothiophenes Boost Triplet Formation by CT Mediation and Symmetry Breaking. Journal of the American Chemical Society |
| Kähler S, Cebreiro-Gallardo A, Pokhilko P, et al. (2023) State-Interaction Approach for Evaluating -Tensors within EOM-CC and RAS-CI Frameworks: Theory and Benchmarks. The Journal of Physical Chemistry. A. 127: 8459-8472 |
| Gorgon S, Lv K, Grüne J, et al. (2023) Reversible spin-optical interface in luminescent organic radicals. Nature. 620: 538-544 |
| Diaz-Andres A, Marín-Beloqui J, Wang J, et al. (2023) Rational design of anti-Kasha photoemission from a biazulene core embedded in an antiaromatic/aromatic hybrid. Chemical Science. 14: 6420-6429 |
| Wang T, Angulo-Portugal P, Berdonces-Layunta A, et al. (2023) Tuning the Diradical Character of Pentacene Derivatives via Non-Benzenoid Coupling Motifs. Journal of the American Chemical Society |
| Rodríguez-Jiménez JA, Carreras A, Casanova D. (2023) Spin-Orbit Couplings of Open-Shell Systems with Restricted Active Space Configuration Interaction. The Journal of Physical Chemistry. A. 127: 1206-1218 |
| Dai Y, Calzolari A, Zubiria-Ulacia M, et al. (2022) Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates. Molecules (Basel, Switzerland). 28 |
| Climent C, Casanova D, Feist J, et al. (2022) Not dark yet for strong light-matter coupling to accelerate singlet fission dynamics. Cell Reports. Physical Science. 3: 100841 |