Quantum Mechanical Modeling of the Interactions between Noble Metal (Ag and Au) Nanoclusters and Water with the Effective Fragment Potential Method

[Image: see text] Explicit solvent interactions can significantly alter the physical and chemical properties of noble metal (e.g., gold and silver) nanoclusters. In order to compute these solvent interactions at a reasonable computational cost, a quantum mechanical (QM)/molecular mechanics (MM) appr...

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Detalles Bibliográficos
Autores principales: Tran, Anh L., Guidez, Emilie B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7144145/
https://www.ncbi.nlm.nih.gov/pubmed/32280887
http://dx.doi.org/10.1021/acsomega.0c00132

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7144145/
https://www.ncbi.nlm.nih.gov/pubmed/32280887
http://dx.doi.org/10.1021/acsomega.0c00132

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