Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 38(18), p. 26960-26969
DOI: 10.1039/c6cp03526d
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From intermolecular interactions to structures and properties of a novel cocrystal explosive: a first-principles study
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Abstract
Using a novel cocrystal explosive, 1 : 1 NTO : TZTN, as an example, we have gained insight into the interaction-structure–property interrelationship.