ReaxFF MD simulations of thermolysis mechanism of 2, 6-diamino-3, 5-dinitropyrazine-1-oxidated

Author:

Jiang Jun,Qiu-li Jiang,Chen Yahong,Hao Weizhe,Liu Yubing,Zhang S.-H.

Funder

Xi'an Modern Chemistry Research Institute

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference36 articles.

1. Synthesis, scale-up, and characterization of 2, 6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105);Pagoria,1998

2. Kinetics and Mechanisms of Thermal Decomposition of Nitroaromatic Explosives;Brill;Chem. Rev.,1993

3. Crystal structure, safety performance and density-functional theoretical investigation of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105);Ma;Chin. J. Chem .,2008

4. J.L. Cutting, H.H. Chau, R.L. Hodgin, D.M. Hoffman, F. Garcia, R.S. Lee, E. McGuire, A.R. Mitchell, P.F. Pagoria, R.D. Schmidt, A small-scale screening test for HE performance: Application to the new explosive LLM-105, in: Elev. Int. Detonation Symp., 1998.

5. Equations of state of 2,6-diamino-3,5-dinitropyrazine-1-oxide;Gump;J. Appl. Phys.,2011

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