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- W3200217006 endingPage "1073" @default.
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- W3200217006 abstract "Magnetically induced current densities, calculated at the M06-2X/def2-TZVP level using the diamagnetic-zero version of the continuous transformation of origin of current density (CTOCD-DZ) method, were employed to study the aromaticity in Li3B2− and Li4B2. It was found that the Li3/Li4 rings in Li3B2− and Li4B2 remarkably resemble the monocyclic Li3+ and Li42+ clusters. Unlike the parent Li3+ and Li42+ systems that sustain negligibly weak global current density circulation, the Li3B2− and Li4B2 clusters exhibit a strong diatropic current density. The present work demonstrates how structural modifications introduced by the B2 unit can be used for modulating the current density in cyclic Li-based clusters." @default.
- W3200217006 created "2021-09-27" @default.
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- W3200217006 date "2021-09-14" @default.
- W3200217006 modified "2023-10-18" @default.
- W3200217006 title "The B2 Structural Motif as a Tool for Modulating Ring Currents in Monocyclic Li Clusters" @default.
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- W3200217006 doi "https://doi.org/10.3390/chemistry3030077" @default.
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