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The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral Au(38)(SC(2)H(4)Ph)(24) Cluster
[Image: see text] Effects of the conformational dynamics of 2-PET protective ligands on the electronic circular dichroism (ECD) of the chiral Au(38)(SC(2)H(4)Ph)(24) cluster are investigated. We adopt a computational protocol in which ECD spectra are calculated via the first principle polTDDFT appro...
Autores principales: | Monti, M., Brancolini, G., Coccia, E., Toffoli, D., Fortunelli, A., Corni, S., Aschi, M., Stener, M. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9940292/ https://www.ncbi.nlm.nih.gov/pubmed/36787099 http://dx.doi.org/10.1021/acs.jpclett.2c03923 |
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