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Nonlocal effects on the structural transition of gold clusters from planar to three-dimensional geometries
Conventional density functional theory calculations heavily bias planar structures in gold clusters, failing to predict the structural transition from planar to three-dimensional geometries in experimentally detected gold species. Inspired by recent progress in calculating the defect energies of coi...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9065761/ https://www.ncbi.nlm.nih.gov/pubmed/35515534 http://dx.doi.org/10.1039/c9ra02202c |