科研之友
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摘要
Stability of a series of neutral and charged borane clusters containing planar four-coordinate boron centres was predicted by the density functional theory DFT (B3LYP/6-311+G**). The possibility of the modification of these systems to obtain new stable compounds with planar four-coordinate carbon and silicon atoms was examined. The calculations show that the substituted systems should be more stable than the isoelectronic boron analogs.
- 出版日期2005-10
