Therefore, for small- and medium-sized molecular system of azido compounds with removing azide groups, MP2/6-31+G** method well be a reliable method to calculate the BDEs.

• 因此；当计算这些中小型叠氮化合物中离解掉叠氮基的键离解能时；用MP2/6-31+G是一种可靠的计算方法.