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Exploration of Free Energy Surface and Thermal Effects on Relative Population and Infrared Spectrum of the Be(6)B(11)(−) Fluxional Cluster
The starting point to understanding cluster properties is the putative global minimum and all the nearby local energy minima; however, locating them is computationally expensive and difficult. The relative populations and spectroscopic properties that are a function of temperature can be approximate...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7796227/ https://www.ncbi.nlm.nih.gov/pubmed/33383889 http://dx.doi.org/10.3390/ma14010112 |