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Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04414-4
Abstract: A series of furazan substituted s-triazine derivatives were designed and investigated theoretically as potential nitrogen-rich high-energy-density materials in this work. Density functional theory (DFT) methods were used to predict the heats of formation (HOFs) and…
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Keywords:
high energy;
furazan substituted;
nitrogen rich;
density ... See more keywords