Publications of J. Jornet-Somoza
All genres
Journal Article (6)
2023
Journal Article
Electronic Descriptors for Supervised Spectroscopic Predictions , ,
Journal of Chemical Theory and Computation 19 (6), 1818–1826 (2023)
2021
Journal Article
Pitfalls on evaluating pair exchange interactions for modelling molecule-based magnetism
J. Jornet-Somoza, , , ,
, Journal of Materials Chemistry C 33, 10647–10660 (2021)
2020
Journal Article
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)
Journal Article
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
Journal Article
Revising the common understanding of metamagnetism in the molecule-based bisdithiazolyl BDTMe compound , ,
Physical Chemistry Chemical Physics 21 (23), 12184–12191 (2019)
Journal Article
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)
Working Paper (1)
2022
Working Paper
A basic electro-topological descriptor for the prediction of organic molecule geometries by simple machine learning , , ,
(2022)