Cargando…
Isomers and energy landscapes of micro-hydrated sulfite and chlorate clusters
We present putative global minima for the micro-hydrated sulfite SO(3)(2−)(H(2)O)(N) and chlorate ClO(3)(−)(H(2)O)(N) systems in the range 3≤N≤15 found using basin-hopping global structure optimization with an empirical potential. We present a structural analysis of the hydration of a large number o...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society Publishing
2018
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5805918/ https://www.ncbi.nlm.nih.gov/pubmed/29431682 http://dx.doi.org/10.1098/rsta.2017.0154 |