科研之友
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摘要
The geometrical structure of the doubly negative charged close boron hydride B15H152-(D-3h) was optimized at the HF/6-31G level, and its energy properties and normal-mode vibrational frequencies were computed at the same level by using ab initio quantum chemistry calculation method, The calculated results show that the structure would pe indeed a stationary point on its HF/6-31G potential hypersurface and the cluster could be predicted to be both chemically and kinetically stable.
