| Development and validation of quantum mechanically derived force-fields: Thermodynamic, structural, and vibrational properties of aromatic heterocycles L Greff da Silveira, M Jacobs, G Prampolini, PR Livotto, I Cacelli Journal of Chemical Theory and Computation 14 (9), 4884-4900, 2018 | 31 | 2018 |
| Interaction energy landscapes of aromatic heterocycles through a reliable yet affordable computational approach M Jacobs, L Greff Da Silveira, G Prampolini, PR Livotto, I Cacelli Journal of Chemical Theory and Computation 14 (2), 543-556, 2018 | 27 | 2018 |
| Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface M Jacobs, J Krumland, AM Valencia, H Wang, M Rossi, C Cocchi Advances in Physics: X 5 (1), 1749883, 2020 | 25 | 2020 |
| Laser-controlled charge transfer in a two-dimensional organic/inorganic optical coherent nanojunction M Jacobs, J Krumland, C Cocchi ACS Applied Nano Materials 5 (4), 5187-5195, 2022 | 11 | 2022 |
| Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2mod): Development and … I Cacelli, F Lipparini, L Greff da Silveira, M Jacobs, PR Livotto, ... The Journal of Chemical Physics 150 (23), 2019 | 8 | 2019 |
| Ab initio simulation of laser-induced electronic and vibrational coherence J Krumland, M Jacobs, C Cocchi Physical Review B 106 (14), 144304, 2022 | 7 | 2022 |
| Impact of polarity on anisotropic diffusion of conjugated organic molecules on the (1010) zinc oxide surface M Miletic, K Palczynski, MR Jacobs, AM Valencia, C Cocchi, J Dzubiella The Journal of Physical Chemistry C 123 (11), 6549-6559, 2019 | 6 | 2019 |
| Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface M Jacobs, K Fidanyan, M Rossi, C Cocchi arXiv preprint arXiv:2311.01776, 2023 | | 2023 |
| Pulse-Induced Dynamics of a Charge-Transfer Complex from First Principles M Jacobs, J Krumland, AM Valencia, C Cocchi The Journal of Physical Chemistry A 127 (42), 8794-8805, 2023 | | 2023 |
| Vibronic Couplings and Temperature Effects in the Ultrafast Dynamics of a Charge-Transfer Complex M Jacobs, J Krumland, AM Valencia, C Cocchi arXiv preprint arXiv:2303.03905, 2023 | | 2023 |
| First-principles ultrafast charge carrier dynamics at the hybrid F4TCNQ: H-Si (111) interface M Jacobs, J Krumland, AM Valencia, C Cocchi APS March Meeting Abstracts 2019, G70. 281, 2019 | | 2019 |
| Parametrização de campo de força derivado de cálculos mecânico-quânticos para o cristal líquido 4-Ciano-4’-Pentilbifenila MR Jacobs | | 2017 |
Paolo Roberto LivottoProfessor Associado do Departamento de Físico-Química - Universidade Federal do Rio Grande do SulVerified email at iq.ufrgs.br
