A first-principles study on the B5O5 (+/0) and B5O5 (-) clusters: The boron oxide analogs of C6H5 (+/0) and CH3Cl

The concept of boronyl (BO) and the BO/H isolobal analogy build an interesting structural link between boron oxide clusters and hydrocarbons. Based upon global-minimum searches and first-principles electronic structural calculations, we present here the perfectly planar C2v B5O5 (+) (1, (1)A1), C2v...

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Bibliographic Details
Published in	The Journal of chemical physics Vol. 143; no. 6; p. 064303
Main Authors	Tian, Wen-Juan, You, Xue-Rui, Li, Da-Zhi, Ou, Ting, Chen, Qiang, Zhai, Hua-Jin, Li, Si-Dian
Format	Journal Article
Language	English
Published	United States 14.08.2015
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