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Nanoscale
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October 15, 2024
Rationalization of the light-induced electron injection mechanism in a model 1D ZnO nanowire-dye complex: insights from real-time TD-DFTB simulations
Dalma M Márquez, Carlos R Lien-Medrano, Germán J Soldano, et al.
Nanoscale
|
March 10, 2021
Photoinduced charge-transfer in chromophore-labeled gold nanoclusters: quantum evidence of the critical role of ligands and vibronic couplings
Adrian Domínguez-Castro, Carlos R Lien-Medrano, Khaoula Maghrebi, et al.
Journal of Chemical Theory and Computation
|
November 16, 2023
Benchmark Data Set of Crystalline Organic Semiconductors
Andriy Zhugayevych, Wenbo Sun, Tammo van der Heide, et al.
Nano Letters
|
January 18, 2022
Fano Resonance and Incoherent Interlayer Excitons in Molecular van der Waals Heterostructures
Carlos R Lien-Medrano, Franco P Bonafé, Chi Yung Yam, et al.
Journal of Chemical Theory and Computation
|
April 18, 2024
Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method
Gonzalo Díaz Mirón, Carlos R Lien-Medrano, Debarshi Banerjee, et al.
Journal of Chemical Theory and Computation
|
May 8, 2025
Hybrid Functional DFTB Parametrizations for Modeling Organic Photovoltaic Systems
Wenbo Sun, Tammo van der Heide, Van-Quan Vuong, et al.
Journal of Chemical Theory and Computation
|
November 20, 2024
Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors
Gonzalo Díaz Mirón, Carlos R Lien-Medrano, Debarshi Banerjee, et al.
Drug and Chemical Toxicology
|
October 15, 2024
Toxicity of pesticide cocktails in amphibian larvae: understanding the impact of agricultural activity on aquatic ecosystems in the Salado River basin, Argentina
Ana P Cuzziol Boccioni, Rafael C Lajmanovich, Andrés M Attademo, et al.
Journal of the American Chemical Society
|
April 12, 2023
Photoresponse of Solution-Synthesized Graphene Nanoribbon Heterojunctions on Diamond Indicating Phototunable Photodiode Polarity
Xiaoxi Zhang, Yunbin Hu, Carlos R Lien-Medrano, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Nanoscale
|
October 15, 2024
Rationalization of the light-induced electron injection mechanism in a model 1D ZnO nanowire-dye complex: insights from real-time TD-DFTB simulations
Dalma M Márquez, Carlos R Lien-Medrano, Germán J Soldano, et al.
Nanoscale
|
March 10, 2021
Photoinduced charge-transfer in chromophore-labeled gold nanoclusters: quantum evidence of the critical role of ligands and vibronic couplings
Adrian Domínguez-Castro, Carlos R Lien-Medrano, Khaoula Maghrebi, et al.
Journal of Chemical Theory and Computation
|
November 16, 2023
Benchmark Data Set of Crystalline Organic Semiconductors
Andriy Zhugayevych, Wenbo Sun, Tammo van der Heide, et al.
Nano Letters
|
January 18, 2022
Fano Resonance and Incoherent Interlayer Excitons in Molecular van der Waals Heterostructures
Carlos R Lien-Medrano, Franco P Bonafé, Chi Yung Yam, et al.
Journal of Chemical Theory and Computation
|
April 18, 2024
Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method
Gonzalo Díaz Mirón, Carlos R Lien-Medrano, Debarshi Banerjee, et al.
Journal of Chemical Theory and Computation
|
May 8, 2025
Hybrid Functional DFTB Parametrizations for Modeling Organic Photovoltaic Systems
Wenbo Sun, Tammo van der Heide, Van-Quan Vuong, et al.
Journal of Chemical Theory and Computation
|
November 20, 2024
Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors
Gonzalo Díaz Mirón, Carlos R Lien-Medrano, Debarshi Banerjee, et al.
Drug and Chemical Toxicology
|
October 15, 2024
Toxicity of pesticide cocktails in amphibian larvae: understanding the impact of agricultural activity on aquatic ecosystems in the Salado River basin, Argentina
Ana P Cuzziol Boccioni, Rafael C Lajmanovich, Andrés M Attademo, et al.
Journal of the American Chemical Society
|
April 12, 2023
Photoresponse of Solution-Synthesized Graphene Nanoribbon Heterojunctions on Diamond Indicating Phototunable Photodiode Polarity
Xiaoxi Zhang, Yunbin Hu, Carlos R Lien-Medrano, et al.
Page
of 1