Publikationen von J. Jornet-Somoza
Alle Typen
Zeitschriftenartikel (5)
2021
Zeitschriftenartikel
Pitfalls on evaluating pair exchange interactions for modelling molecule-based magnetism
, J. Jornet-Somoza, , , ,
Journal of Materials Chemistry C 33, 10647–10660 (2021)
2020
Zeitschriftenartikel
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
N. Tancogne-Dejean, M. J. T. Oliveira, , H. Appel, , , F. Buchholz, , , , U. de Giovannini, , F. G. Eich, , , , , H. Hübener, R. Jestädt, J. Jornet-Somoza, , , M. Lüders, , , , , , , S. Sato, C. Schäfer, I. Theophilou, , A. Rubio
The Journal of Chemical Physics 152 (12), 124119 (2020)
Zeitschriftenartikel
Covalent C–N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation
, , J. Jornet-Somoza, , A. Rubio, ,
Journal of the American Chemical Society 142 (8), 3696–3700 (2020)
2019
Zeitschriftenartikel
Revising the common understanding of metamagnetism in the molecule-based bisdithiazolyl BDTMe compound
, , J. Jornet-Somoza,
Physical Chemistry Chemical Physics 21 (23), 12184–12191 (2019)
Zeitschriftenartikel
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)
Forschungspapier (1)
2022
Forschungspapier
Electronic Descriptors for Supervised Spectroscopic Predictions
, , A. Rubio, J. Jornet-Somoza
(2022)
