The structure and chemical bonding in inverse sandwich B6Ca2 and B8Ca2 clusters: conflicting aromaticity vs. double aromaticityElectronic supplementary information (ESI) available: Cartesian coordinates for the GM structures of B6Ca2 and B8Ca2, alternative optimized structures of B6Ca2 and B8Ca2, CMOs for the GM structure and the competitor of B8Ca2, AdNDP for the competitor of B8Ca2. See DOI: 10.1039/d0cp03703f
In: Physical chemistry chemical physics, Jg. 22 (2020), Heft 36, S. 20362-20367
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The structure and chemical bonding in inverse sandwich B6Ca2 and B8Ca2 clusters: conflicting aromaticity vs. double aromaticityElectronic supplementary information (ESI) available: Cartesian coordinates for the GM structures of B6Ca2 and B8Ca2, alternative optimized structures of B6Ca2 and B8Ca2, CMOs for the GM structure and the competitor of B8Ca2, AdNDP for the competitor of B8Ca2. See DOI: 10.1039/d0cp03703f
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Autor/in / Beteiligte Person: | Wang, Ying-Jin ; Guo, Min-Min ; Wang, Gui-Lin ; Miao, Chang-Qing ; Zhang, Nan ; Xue, Teng-Dan |
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Zeitschrift: | Physical chemistry chemical physics, Jg. 22 (2020), Heft 36, S. 20362-20367 |
Veröffentlichung: | 2020 |
Medientyp: | serialPeriodical |
ISSN: | 1463-9076 (print) |
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