Publications of J. Jornet-Somoza

I. V. Lebedeva and J. Jornet-Somoza, 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).

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

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

N. Tancogne-Dejean, M. J. T. Oliveira, X. Andrade, H. Appel, C. H. Borca, G. Le Breton, F. Buchholz, A. Castro, S. Corni, A. A. Correa, U. de Giovannini, A. Delgado, F. G. Eich, J. Flick, G. Gil, A. Gomez, N. Helbig, H. Hübener, R. Jestädt, J. Jornet-Somoza, A. H. Larsen, I. V. Lebedeva, M. Lüders, M. A. L. Marques, S. T. Ohlmann, S. Pipolo, M. Rampp, C. A. Rozzi, D. A. Strubbe, S. Sato, C. Schäfer, I. Theophilou, A. Welden, and A. Rubio, 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).

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

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

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

M. C. Daugherty, P. H. Jacobse, J. Jiang, J. Jornet-Somoza, R. Dorit, Z. Wang, J. Lu, R. McCurdy, A. Rubio, S. G. Louie, M. F. Crommie, and F. R. Fischer, Regioselective On-Surface Synthesis of [3]Triangulene Graphene Nanoribbons. 24-Feb-2024.

C. M. de Armas-Morejón, A. H. Larsen, L. A. Montero-Cabrera, A. Rubio, and J. Jornet-Somoza, A basic electro-topological descriptor for the prediction of organic molecule geometries by simple machine learning. 19-Oct-2022.