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ChemInform Abstract: Exotic Structures of Si2B2H4.

✍ Scribed by E. D. JEMMIS; G. SUBRAMANIAN; A. A. KORKIN; M. HOFMANN; P. VON RAGUE SCHLEYER

Publisher
John Wiley and Sons
Year
2010
Weight
25 KB
Volume
28
Category
Article
ISSN
0931-7597

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✦ Synopsis

Exotic Structures of Si2B2H4. -The structural diversity of the Si2B2H4 potential energy surfaces are studied by ab initio calculations at the MP2/6-31G* and DFT Becke 3LYP/ 6-311+G** levels. Among twelve minimum structures, (I) having a puckered ring structure is predicted to be the most stable isomer.

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