Reproducing the Solvatochromism of Merocyanines by PCM Calculations

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148-Reproducing the Solvatochromism.pdf (1.7 MB)

Date

2024-08-29

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journal article

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Investigación
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Authors

Aracena, Andres, Rezende, Marcos Caroli, Pizarro, Sebastian

Publisher

MDPI AG

URI

https://repositorio.udla.cl/handle/udla/1761

DOI

https://doi.org/10.3390/molecules29174103

Keywords

merocyanines, types of solvatochromism, solvent effects, PCM calculations, Fukui electrophilic function

Citation

Molecules, 29(17), 4103. https://doi.org/10.3390/molecules29174103

Abstract

Polarizable continuum methods (PCM) have been widely employed for simulating solvent effects, in spite of the fact that they either ignore specific interactions in solution or only partially reproduce...

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Creative Commons Attribution 4.0 International
Except where otherwised noted, this item's license is described as Creative Commons Attribution 4.0 International
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