Article ID Journal Published Year Pages File Type
4953105 Journal of Molecular Graphics and Modelling 2017 6 Pages PDF
Abstract
On account of the structures of TKX-50 and RDX, there should be hydrogen bond interactions between the hydrogen atom of TKX-50 and the oxygen or nitrogen atom of RDX, thus TKX-50/RDX cocrystal model was established and calculated by molecular dynamics simulations.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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