Three optimized stable azidoethene dimers found on the potential energy surface and their electronic structures have been obtained by using ab initio method at the HF/6-311++G** level.

• 运用从头计算方法,在HF/6-311++G水平上,求得叠氮乙烯二聚体势能面上3种稳定的分子几何和电子结构。