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| Main Author: | |
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| Format: | Artículo científico |
| Language: | en |
| Published: |
Sociedad Mexicana de Física A.C.
2008
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| Subjects: | |
| Online Access: | https://www.redalyc.org/articulo.oa?id=57016047008 |
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Table of Contents:
- DFT normal modes of vibration of the Au20 cluster B. Molina J.R. Soto A. Calles Física, Astronomía y Matemáticas Au20 metallic cluster normal modes of vibration The vibrational spectrum of the tetrahedral Au20 cluster was calculated using density functional theory (DFT) with two different approximations: the hybrid-B3LYP and GGA-BP86. The normal modes of vibration obtained were classified according to the irreducible representations of the Td group. The calculated vibrational frequencies were tabulated to be compared with experimental data when they became available. 2008 artículo científico 0035-001X https://www.redalyc.org/articulo.oa?id=57016047008 en http://www.redalyc.org/revista.oa?id=570 Revista Mexicana de Física application/pdf Sociedad Mexicana de Física A.C. Revista Mexicana de Física (México) Num.4 Vol.54