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- W3012443310 endingPage "137310" @default.
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- W3012443310 abstract "Nitrogen-rich lithium cluster cation LiN12+ was generated by laser ablation at specific experimental conditions and analyzed by mass spectrometry. Density functional theory calculations were conducted at the M06-2X/6-311+G(d,p) level to search for stable structures of LiN12+ and its neutral counterpart. The results showed that the most stable structure of LiN12+ is in the form of Li(N2)6+ with Oh symmetry, while that of LiN12 is in the form of Li(N2)4(η1-N4) with C2v symmetry. Natural bond orbital analyses revealed that the stability of LiN12+ is mainly due to the ion—induced dipole interactions between the Li+ ion and N2 molecules." @default.
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- W3012443310 date "2020-05-01" @default.
- W3012443310 modified "2023-10-17" @default.
- W3012443310 title "Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability" @default.
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- W3012443310 doi "https://doi.org/10.1016/j.cplett.2020.137310" @default.
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