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。

  • 互联网摘选 2025-01-19 23:21:44

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