ListarArtículos científicos por tema "TD-DFT"
Mostrando ítems 1-6 de 6
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Article
Energy conversion process of substituted phthalocyanines with potential application to DSSC: a theoretical study (2020)
(Springer New York LLC, 2018) -
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Exploring the relevance of thiophene rings as bridge unit in acceptor-bridge-donor dyes on self-aggregation and performance in DSSCs (2020)
(John Wiley and Sons Inc., 2018) -
Article
Geometry optimization and UV/Vis spectra of organometallic chalcones functionalized with a benzo‐15‐crown‐5 fragment: A DFT/TD-DFT investigation (2024)
(Elsevier B.V., 2024)In this paper, we studied the structural and UV–visible absorption spectrum of the organometallic chalcones from ferrocene and cyrhetrene functionalized with a benzo‐15‐crown‐5 fragment. The influence of different alkali ... -
Article
Radiative decay channel assessment to understand the sensing mechanism of a fluorescent turn-on Al3+ chemosensor (2020)
(John Wiley and Sons Inc., 2020) -
Article
Sensing mechanism elucidation of a chemosensor based on a metal-organic framework selective to explosive aromatic compounds (2020)
(John Wiley and Sons Inc., 2020) -
Article
Simulation of natural dyes adsorbed on TiO2for photovoltaic applications (2020)
(Elsevier Ltd, 2017)