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As part of our survey of potential high-energy materials, we are considering molecules that have relatively high nitrogen content. Such molecules can decompose or combust to make very stable products. Here, we present calculated thermochemical properties of two molecules containing three nitrogen atoms in a ring: triaziridine
and triazirine
. Gaussian-2 and -3, CBS-APNO, and CBS-QB3 are the high-precision methods used in this study. 相似文献
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