Publikationen von J. Jornet-Somoza

Zeitschriftenartikel (5)

2021
Zeitschriftenartikel
Pitfalls on evaluating pair exchange interactions for modelling molecule-based magnetism
M. Fumanal, J. Jornet-Somoza, S. Vela, J. J. Novoa, J. Ribas-Arino, M. Deumal
Journal of Materials Chemistry C 33, 10647–10660 (2021)
MPG.PuRe
DOI
publisher-version
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, 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, A. Rubio
The Journal of Chemical Physics 152 (12), 124119 (2020)
MPG.PuRe
DOI
publisher-version
ZIP
Zeitschriftenartikel
Covalent C–N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation
I. Piskun, R. Blackwell, J. Jornet-Somoza, F. Zhao, A. Rubio, S. G. Louie, F. R. Fischer
Journal of the American Chemical Society 142 (8), 3696–3700 (2020)
MPG.PuRe
DOI
supplementary-material
publisher-version
2019
Zeitschriftenartikel
Revising the common understanding of metamagnetism in the molecule-based bisdithiazolyl BDTMe compound
C. Climent, S. Vela, J. Jornet-Somoza, M. Deumal
Physical Chemistry Chemical Physics 21 (23), 12184–12191 (2019)
MPG.PuRe
DOI
publisher-version
supplementary-material
Zeitschriftenartikel
Real-Time Propagation TDDFT and Density Analysis for Exciton Coupling Calculations in Large Systems
J. Jornet-Somoza, I. Lebedeva
Journal of Chemical Theory and Computation 15 (6), 3743–3754 (2019)
MPG.PuRe
DOI
publisher-version
supplementary-material

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