Quantum mechanically determined electrostatic potentials for isosurfaces of electron density
of a variety of CHNO explosive molecules are analyzed to identify features that are indicative …

Gas phase hexahydro-1, 3, 5-trinitro-1, 3, 5-triazine (RDX) is a relatively stable molecule
which releases a large amount of energy upon decomposition. Although gas-phase …

The α− β phase transition in the novel energetic material 1, 1-diamino-2, 2-dinitroethylene,
C2H4N4O4 (FOX-7), has been studied by single-crystal X-ray investigations at five different …

The present paper discusses the efforts made in HEMRL to establish the synthesis of FOX-7
at 100g/batch level. In the present study, 1, 1-diamino-2, 2-dinitroethylene has been …

A novel mechanism for detonation initiation in solid explosives is proposed. This is based on
electronic excitations induced by an impact wave propagating through the crystal. We …

To improve the mechanistic understanding of the possible decomposition in the gas phase
of the energetic material HMX (octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine), we used …

We have investigated the heretofore unknown unimolecular decomposition pathway of the
explosive molecule diaminodinitroethylene (DADNE). With the use of DFT methods, whose …

The widespread and long-term use of TNT has led to extensive study of its thermal and
explosive properties. Although much research on the thermolysis of TNT and polynitro …

A combined theoretical and experimental study is performed for the initiation of chemistry
process in high explosive crystals from a solid-state physics viewpoint. In particular, we were …

Diamino‐2, 2‐dinitroethene, C2H4N4O4 (FOX‐7), is a novel high energy density material
with low friction and impact sensitivity and a high activation barrier to detonation. In this …