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

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ReaxFF-<i>l</i>g: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

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Natural Sciences, Chemistry, Physics +17

Carbon Cluster Formation during Thermal Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-Triamino-2,4,6-trinitrobenzene High Explosives from ReaxFF Reactive Molecular Dynamics Simulations

Luzheng Zhang, Sergey V. Zybin, Adri C. T. van Duin et al. · The Journal of Physical Chemistry A · 2009 · 327 citations

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