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用量子化学从头计算方法研究Ｂ_８Ｎ_（１２）的几何构型、电子结构和振动光谱，讨论其稳定性和化学反应性质。
Quantum chemical ab initio method was used to study the geometry, electronic structure and vibrational spectra of B_8N_ (12), and its stability and chemical reaction properties were discussed.