The geometry,electronic structure and vibrational spectrum of B_8N_(12) cluster were studied by using quantum chemical ab initio method,and its stability and properties were discussed.

 
  • 用量子化學(xué)從頭計算方法研究B_8N_(12)的幾何構型、電子結構和振動(dòng)光譜,討論其穩定性和化學(xué)反應性質(zhì)。
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