$Exploration of potential and free energy surfaces of the neutral Be$_4$B$_{8}$ chiral clusters and their stabilities at finite temperatures$

Exploration of potential and free energy surfaces of the neutral Be$_4$B$_{8}$ chiral clusters and their stabilities at finite temperatures

The lowest-energy structure, distribution of isomers, and their molecular properties depend significantly on the geometry and temperature. The total energy computations under DFT methodology are typically carried out at zero temperature; thereby, entropic contributions to total energy are neglected,...

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Hauptverfasser:	Buelna-Garcia, Carlos Emiliano, Castillo-Quevedo, Cesar, Robles-Chaparro, Eduardo, Parra-Arellano, Tristan, Quiroz-Castillo, Jesus Manuel, del Castillo-Castro, Teresa, Martínez-Guajardo, Gerardo, de-Leon-Flores, Aned, Anzueto-Sánchez, Gilberto, Martin-del-Campo-Solis, Martha Fabiola, Mendoza-Wilson, Ana Maria, Vasquez-Espinal, Alejandro, Cabellos, Jose Luis
Format:	Artikel
Sprache:	eng
Schlagworte:	Physics - Materials Science
Online-Zugang:	Volltext bestellen
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