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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| 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 |