摘要
用ＭＮＤＯ方法研究了三氧化二硼和氨反应的反应途径，优化了反应物、反应中间体、产物和反应过渡态的几何构型。
MNDO method has been used to study the reaction pathway of diboron trioxide with ammonia and to optimize the structures of the reactants, the mid-products, the product and transition states. We have obtained the reaction mechanism theoretically.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
1997年第4期635-638,共4页
Journal of Atomic and Molecular Physics
