Cargando…
Electronic and optical properties of [Au(CH(3)CSS)](4) cluster. A quantum chemistry study
The uses of the sulfur–gold bond in the design of new molecular clusters have gained increasing attention in recent years. Their size and shape are diverse providing a wide variety of optical and electronic properties. Here we present a computational study of the absorption and emission properties o...
Autores principales: | Mendizabal, Fernando, Miranda-Rojas, Sebastián |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2020
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056745/ https://www.ncbi.nlm.nih.gov/pubmed/35515021 http://dx.doi.org/10.1039/d0ra06982e |
Ejemplares similares
-
Closed-shell d(10)–d(10) in [AuCl(CNR)](n) and [AuCl(CO)](n) (n = 1, 2; R = –H, –CH(3), –Cy) complexes: quantum chemistry study of their electronic and optical properties
por: Mendizabal, Fernando, et al.
Publicado: (2022) -
Theoretical exploration of the forces governing the interaction between gold–phthalocyanine and gold surface clusters
por: Castro-Latorre, Pablo, et al.
Publicado: (2020) -
Halogen effects on the electronic and optical properties of Au(13) nanoclusters
por: Gao, Ze-Hua, et al.
Publicado: (2020) -
Generative organic electronic molecular design informed by quantum chemistry
por: Li, Cheng-Han, et al.
Publicado: (2023) -
Multiscale quantum algorithms for quantum chemistry
por: Ma, Huan, et al.
Publicado: (2023)