A Path Integral Molecular Dynamics Simulation of a Harpoon-Type Redox Reaction in a Helium Nanodroplet

We present path integral molecular dynamics (PIMD) calculations of an electron transfer from a heliophobic Cs [Formula: see text] dimer in its ([Formula: see text]) state, located on the surface of a He droplet, to a heliophilic, fully immersed C [Formula: see text] molecule. Supported by electron i...

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Detalles Bibliográficos
Autores principales: Castillo-García, Alvaro, Hauser, Andreas W., de Lara-Castells, María Pilar, Villarreal, Pablo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8510490/
https://www.ncbi.nlm.nih.gov/pubmed/34641327
http://dx.doi.org/10.3390/molecules26195783

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8510490/
https://www.ncbi.nlm.nih.gov/pubmed/34641327
http://dx.doi.org/10.3390/molecules26195783

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