2018
DOI: 10.15625/2525-2518/56/1a/12501
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A THEORETICAL INVESTIGATION ON VIBRATIONAL INFRARED SPECTRA OF SinMn2+ ATOMIC CLUSTERS (n = 5-9)

Abstract: Comparison between measured vibrational infrared spectra and corresponding computed ones has been used as a powerful approach to assign the ground state geometry of isolated atomic clusters. Nevertheless, the coexistence of more than one stable isomers often makes the geometrical assignment practically more challenging especially for large-size and doped species. In this study, we report the vibrational infrared spectra of most stable SinMn2+ clusters (n=5–9) using density functional theory calculations. An at… Show more

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