Exploration of Free Energy Surface and Thermal Effects on Relative Population and Infrared Spectrum of the Be6B11− 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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Veröffentlicht in:	Materials 2020-12, Vol.14 (1), p.112
Hauptverfasser:	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
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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