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ChemInform Abstract: Structure and Rearrangements of the B2H+5 Cation.

✍ Scribed by R. M. MINYAEV

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

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ChemInform Abstract: Exotic Structures o
ChemInform Abstract: Exotic Structures of Si2B2H4.
✍ E. D. JEMMIS; G. SUBRAMANIAN; A. A. KORKIN; M. HOFMANN; P. VON RAGUE SCHLEYER πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons βš– 25 KB

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 i