Publikationen von J. Jornet-Somoza

Lebedeva, I. V.; Jornet-Somoza, J.: Optical properties and exciton transfer between N-heterocyclic carbene iridium(III) complexes for blue light-emitting diode applications from first principles. The Journal of Chemical Physics 160 (8), 084107 (2024)

de Armas-Morejón, C. M.; Montero-Cabrera, L. A.; Rubio, A.; Jornet-Somoza, J.: Electronic Descriptors for Supervised Spectroscopic Predictions. Journal of Chemical Theory and Computation 19 (6), S. 1818 - 1826 (2023)

Fumanal, M.; Jornet-Somoza, J.; Vela, S.; Novoa, J. J.; Ribas-Arino, J.; Deumal, M.: Pitfalls on evaluating pair exchange interactions for modelling molecule-based magnetism. Journal of Materials Chemistry C 33, S. 10647 - 10660 (2021)

Tancogne-Dejean, N.; Oliveira, M. J. T.; Andrade, X.; Appel, H.; Borca, C. H.; Le Breton, G.; Buchholz, F.; Castro, A.; Corni, S.; Correa, A. A. et al.; de Giovannini, U.; Delgado, A.; Eich, F. G.; Flick, J.; Gil, G.; Gomez, A.; Helbig, N.; Hübener, H.; Jestädt, R.; Jornet-Somoza, J.; Larsen, A. H.; Lebedeva, I. V.; Lüders, M.; Marques, M. A. L.; Ohlmann, S. T.; Pipolo, S.; Rampp, M.; Rozzi, C. A.; Strubbe, D. A.; Sato, S.; Schäfer, C.; Theophilou, I.; Welden, A.; Rubio, A.: Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems. The Journal of Chemical Physics 152 (12), 124119 (2020)

Piskun, I.; Blackwell, R.; Jornet-Somoza, J.; Zhao, F.; Rubio, A.; Louie, S. G.; Fischer, F. R.: Covalent C–N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation. Journal of the American Chemical Society 142 (8), S. 3696 - 3700 (2020)

Climent, C.; Vela, S.; Jornet-Somoza, J.; Deumal, M.: Revising the common understanding of metamagnetism in the molecule-based bisdithiazolyl BDTMe compound. Physical Chemistry Chemical Physics 21 (23), S. 12184 - 12191 (2019)

Jornet-Somoza, J.; Lebedeva, I.: Real-Time Propagation TDDFT and Density Analysis for Exciton Coupling Calculations in Large Systems. Journal of Chemical Theory and Computation 15 (6), S. 3743 - 3754 (2019)

Daugherty, M. C.; Jacobse, P. H.; Jiang, J.; Jornet-Somoza, J.; Dorit, R.; Wang, Z.; Lu, J.; McCurdy, R.; Rubio, A.; Louie, S. G. et al.; Crommie, M. F.; Fischer, F. R.: Regioselective On-Surface Synthesis of [3]Triangulene Graphene Nanoribbons. (2024)

de Armas-Morejón, C. M.; Larsen, A. H.; Montero-Cabrera, L. A.; Rubio, A.; Jornet-Somoza, J.: A basic electro-topological descriptor for the prediction of organic molecule geometries by simple machine learning. (2022)