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Ab Initio Molecular Dynamics Simulations of Solvated Electrons in Ammonia Clusters
[Image: see text] We investigated excess electron solvation dynamics in (NH(3))(n)(–) ammonia clusters in the n = 8–32 size range by performing finite temperature molecular dynamics simulations. In particular, we focused on three possible scenarios. The first case is designed to model electron attac...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7458421/ https://www.ncbi.nlm.nih.gov/pubmed/32697593 http://dx.doi.org/10.1021/acs.jpcb.0c03908 |