Structural and vibrational properties of gold-doped titanium clusters: A first-principles study
Computational and Theoretical Chemistry(2018)
摘要
•TinAu low energy small clusters.•(TiAu)m low energy small clusters.•TinAu and (TiAu)m radial breathing mode trend.•Stability parameters of TinAu and (TiAu)m clusters.
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关键词
Structure,Vibrational spectroscopy,Stability parameters
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