Theoretical studies on the role of each component in benzotrifuroxan/2,4,6-trinitrotoluene cocrystal
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DOI: 10.1016/j.cplett.2020.137608
Abstract: Abstract We studied the crystal structure, electronic properties, intermolecular interactions, and detonation performance of benzotrifuroxan/2,4,6-trinitrotoluene (BTF/TNT) cocrystal by theoretical methods. In the cocrystal, BTF combines with TNT to form the hydrogen bonds, which enhances the… read more here.
Keywords: theoretical studies; benzotrifuroxan trinitrotoluene; cocrystal theoretical; benzotrifuroxan ... See more keywords