Exploration of Free Energy Surface and Thermal Effects on Relative Population and Infrared Spectrum of the Be<sub>6</sub>B<sub>11</sub><sup>−</sup> Flux-Ional 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...
Main Authors: | Carlos Emilano Buelna-Garcia, José Luis Cabellos, Jesus Manuel Quiroz-Castillo, Gerardo Martinez-Guajardo, Cesar Castillo-Quevedo, Aned de-Leon-Flores, Gilberto Anzueto-Sanchez, Martha Fabiola Martin-del-Campo-Solis |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-12-01
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Series: | Materials |
Subjects: | |
Online Access: | https://www.mdpi.com/1996-1944/14/1/112 |
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