Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
4953105 | Journal of Molecular Graphics and Modelling | 2017 | 6 Pages |
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
Shuling Xiong, Shusen Chen, Shaohua Jin,