Energetic molecular crystals are widely applied for military and civilian purposes, and
molecular forcefields (FF) are indispensable for treating the microscopic issues therein. This …

Preparation of a redox-frustrated high-energy-density energetic material is achieved by
gentle protolysis of Mn [N (SiMe3) 2] 2 with the perchlorate salt of the tetrazolamide [H2N t …

Accurate modeling of the behavior of high-explosive (HE) materials requires knowledge of
the equation of state (EOS) for both the reactant and the product states of the material …

The skeleton structures of azine (including diazine, triazine and tetrazine) are widely used
as important candidate for building good performance energetic materials due to their …

Environmental concerns have stimulated the development of green alternatives to
environmentally pollutive nitramine compounds used for high-energy density materials …

Detonation of energetic materials (EMs) is of great importance for military applications, while
the understanding of detailed events and mechanisms for the detonation process is scarce …

The synergistic mechanism of Ni catalyst and supercritical water (SCW) during the treatment
of dibutyl phthalate (DBP), a representative component of refractory phthalic acid esters, has …

Deep insight into the important effects of Al+ MoO 3 nanothermite on the properties of RDX
is desperately needed. A considerable opportunity for examining catalytic performance of …

Environmentally acceptable alternatives to toxic lead-based primary explosives have
become increasingly demanding for energetic materials (EMs) because of environmental …

Molecular dynamics were used to study dihydroxylammonium 5, 5'-bistetrazole-1, 1'-diolate
(TKX-50) and TKX-50 based high-energy mixed explosives (HE) with fluoropolymers (F …