On the nature of bonding in binary Be 2 O 2 and Si 2 O 2 clusters: rhombic four-center four-electron π and σ bonds

The structural and electronic properties and chemical bonding of binary Be 2 O 2 and Si 2 O 2 clusters have been studied using quantum chemical calculations at the B3LYP level. For the Be 2 O 2 cluster, the potential energy surface is probed by unbiased structural searches and the global-minimum str...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2016, Vol.18 (14), p.9594-9601
Hauptverfasser:	Wang, Kang, Wang, Ying-Jin, Li, Da-Zhi, Ou, Ting, Zhao, Xiao-Yun, Zhai, Hua-Jin
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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