Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be4B8 Cluster at Different Temperatures.
Molecules
; 26(13)2021 Jun 28.
Article
en En
| MEDLINE
| ID: mdl-34203563
Be4B8; Boltzmann factors; Gibbs free energy; IR spectra; adaptive natural density partitioning method; berylliumboron cluster; density functional theory; enthalpy; entropy; genetic algorithm; global minimum; nanothermodynamics; quantum statistical mechanics; temperature; thermochemistry; vibrational circular dichroism
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1
Banco de datos:
MEDLINE
Tipo de estudio:
Prognostic_studies
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Risk_factors_studies
Idioma:
En
Revista:
Molecules
Asunto de la revista:
BIOLOGIA
Año:
2021
Tipo del documento:
Article
País de afiliación:
México