| Recommendations for velocity adjustment in surface hopping JM Toldo, RS Mattos, M Pinheiro Jr, S Mukherjee, M Barbatti Journal of Chemical Theory and Computation 20 (2), 614-624, 2024 | 11 | 2024 |
| On the cooperative origin of solvent-enhanced symmetry-breaking charge transfer in a covalently bound tetracene dimer leading to singlet fission RS Mattos, I Burghardt, AJA Aquino, TM Cardozo, H Lischka Journal of the American Chemical Society 144 (51), 23492-23504, 2022 | 11 | 2022 |
| Encapsulation of aromatic guests in the bisporphyrin cavity of a double-stranded spiroborate helicate: Thermodynamic and kinetic studies and the encapsulation mechanism N Ousaka, S Yamamoto, H Iida, T Iwata, S Ito, R Souza, Y Hijikata, S Irle, ... The Journal of Organic Chemistry 86 (15), 10501-10516, 2021 | 6 | 2021 |
| Prediction challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods S Mukherjee, RS Mattos, JM Toldo, H Lischka, M Barbatti The Journal of Chemical Physics 160 (15), 2024 | 3 | 2024 |
| Gravitationally-induced Wave-function Collapse Time for Molecules AA Tomaz, RS Mattos, M Barbatti | | 2024 |
