Cargando…
Real-Time Propagation TDDFT and Density Analysis for Exciton Coupling Calculations in Large Systems
[Image: see text] Photoactive systems are characterized by their capacity to absorb the energy of light and transform it. Usually, more than one chromophore is involved in the light absorption and excitation transport processes in complex systems. Linear-Response Time-Dependent Density Functional (L...
Autores principales: | Jornet-Somoza, Joaquim, Lebedeva, Irina |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American
Chemical Society
2019
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6562740/ https://www.ncbi.nlm.nih.gov/pubmed/31091099 http://dx.doi.org/10.1021/acs.jctc.9b00209 |
Ejemplares similares
-
The TDDFT Excitation Energies of the BODIPYs; The DFT and TDDFT Challenge Continues
por: Schlachter, Adrien, et al.
Publicado: (2021) -
Forecasting System of Computational Time of DFT/TDDFT
Calculations under the Multiverse Ansatz via Machine Learning and
Cheminformatics
por: Ma, Shuo, et al.
Publicado: (2021) -
Understanding Hyperporphyrin Spectra: TDDFT Calculations
on Diprotonated Tetrakis(p-aminophenyl)porphyrin
por: Conradie, Jeanet, et al.
Publicado: (2021) -
Development of bright fluorescent quadracyclic adenine analogues: TDDFT-calculation supported rational design
por: Foller Larsen, Anders, et al.
Publicado: (2015) -
Glucopyranosylidene-Spiro-Thiazolinones: Synthetic Studies and Determination of Absolute Configuration by TDDFT-ECD Calculations
por: Szabó, Katalin E., et al.
Publicado: (2017)