https://www.selleckchem.com/products/qx77.html
Forty nitramines by incorporating -C=O, -NH2, -N3, -NF2, -NHNO2, -NHNH2, -NO2, -ONO2, -C(NO2)3, and -CH(NO2)2 groups based on a 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX) framework were designed. Their electronic structures, heats of formation (HOFs), detonation properties, thermal stabilities, electrostatic potential, and thermodynamic properties were systematically investigated by density functional theory. The comprehensive relationships between the structures and performance of different substituents were studied. Results ind
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