Repositorio de Universidad Autónoma de Chile.
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Geometry optimization and UV/Vis spectra of organometallic chalcones functionalized with a benzo‐15‐crown‐5 fragment: A DFT/TD-DFT investigation
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 and alkaline earth metal ions on geometric structures, frontier molecular orbit
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