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Carlos R. Lien-Medrano
Carlos R. Lien-Medrano
BCCMS University of Bremen
Verified email at uni-bremen.de
Title
Cited by
Cited by
Year
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
602020
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
182016
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
172018
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
152021
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
92023
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
62022
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
52023
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 20 (9), 3864-3878, 2024
42024
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
32023
Trajectory Surface Hopping with Tight Binding Density Functional Theory applied to Molecular Motors
GD Mirón, CR Lien-Medrano, D Banerjee, M Monti, B Aradi, MA Sentef, ...
arXiv preprint arXiv:2409.13429, 2024
12024
Flexible and Efficient Semi-Empirical DFTB Parameters for Electronic Structure Prediction of 3D, 2D Iodide Perovskites and Heterostructures
J Jiang, T van der Heide, S Thébaud, CR Lien-Medrano, A Fihey, ...
arXiv preprint arXiv:2412.07016, 2024
2024
Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors
G Díaz Mirón, CR Lien-Medrano, D Banerjee, M Monti, B Aradi, MA Sentef, ...
Journal of Chemical Theory and Computation, 2024
2024
Toxicity of pesticide cocktails in amphibian larvae: understanding the impact of agricultural activity on aquatic ecosystems in the Salado River basin, Argentina
AP Cuzziol Boccioni, RC Lajmanovich, AM Attademo, G Lener, ...
Drug and Chemical Toxicology, 1-19, 2024
2024
Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors
GD Mirón, CR Lien-Medrano, D Banerjee, M Monti, B Aradi, MA Sentef, ...
Journal of Chemical Theory and Computation, 2024
2024
Rationalization of the light induced electron injection mechanism in a model 1D ZnO Nanowire-Dye complex: Insights from real-time TD-DFTB simulations.
DM Marquez, CR Lien-Medrano, GJ Soldano, CG Sánchez
Nanoscale, 2024
2024
rsc. li/nanoscale
CR Lien-Medrano, T Frauenheim, A Fihey
2021
Simulaciones fotodinámicas de materiales para celdas solares orgánicas
CR Medrano
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