| A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron–Nuclear Dynamics and Pump–Probe Spectroscopy Simulations FP Bonafé, B Aradi, B Hourahine, CR Medrano, FJ Hernández, ... Journal of Chemical Theory and Computation 16 (7), 4454-4469, 2020 | 52 | 2020 |
| Photoinduced charge-transfer dynamics simulations in noncovalently bonded molecular aggregates CR Medrano, MB Oviedo, CG Sánchez Physical Chemistry Chemical Physics 18 (22), 14840-14849, 2016 | 17 | 2016 |
| Trap-door-like irreversible photoinduced charge transfer in a donor–acceptor complex CR Medrano, CG Sánchez The Journal of Physical Chemistry Letters 9 (12), 3517-3524, 2018 | 15 | 2018 |
| Photoinduced charge-transfer in chromophore-labeled gold nanoclusters: quantum evidence of the critical role of ligands and vibronic couplings A Domínguez-Castro, CR Lien-Medrano, K Maghrebi, S Messaoudi, ... Nanoscale 13 (14), 6786-6797, 2021 | 13 | 2021 |
| Photoresponse of solution-synthesized graphene nanoribbon heterojunctions on diamond indicating phototunable photodiode polarity X Zhang, Y Hu, CR Lien-Medrano, J Li, J Shi, X Qin, Z Liao, Y Wang, ... Journal of the American Chemical Society 145 (16), 8757-8763, 2023 | 8 | 2023 |
| Fano resonance and incoherent interlayer excitons in molecular van der waals heterostructures CR Lien-Medrano, FP Bonafé, CY Yam, CA Palma, CG Sánchez, ... Nano Letters 22 (3), 911-917, 2022 | 6 | 2022 |
| Rapid Access to Ground-and Excited-State Properties of Gold Nanoclusters Coated with Organic Ligands: Evaluation of the DFTB Method Performance K Maghrebi, I Chantrenne, S Messaoudi, T Frauenheim, A Fihey, ... The Journal of Physical Chemistry C 127 (39), 19675-19686, 2023 | 2 | 2023 |
| Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method G Díaz Mirón, CR Lien-Medrano, D Banerjee, UN Morzan, MA Sentef, ... Journal of Chemical Theory and Computation, 2024 | | 2024 |
| Benchmark Data Set of Crystalline Organic Semiconductors A Zhugayevych, W Sun, T van der Heide, CR Lien-Medrano, ... Journal of Chemical Theory and Computation 19 (22), 8481-8490, 2023 | | 2023 |
| rsc. li/nanoscale CR Lien-Medrano, T Frauenheim, A Fihey | | 2021 |
| Simulaciones fotodinámicas de materiales para celdas solares orgánicas CR Medrano | | |
