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...

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Detalles Bibliográficos
Autores principales: Buelna-Garcia, Carlos Emiliano, Cabellos, José Luis, Quiroz-Castillo, Jesus Manuel, Martinez-Guajardo, Gerardo, Castillo-Quevedo, Cesar, de-Leon-Flores, Aned, Anzueto-Sanchez, Gilberto, Martin-del-Campo-Solis, Martha Fabiola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7796227/
https://www.ncbi.nlm.nih.gov/pubmed/33383889
http://dx.doi.org/10.3390/ma14010112

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