Ecotoxicology and environmental safety, 73(7), 1653-1657 (2010-03-02)
Lethal effects of the explosives RDX and HMX were assessed using ten-day water exposures to juvenile sheepshead minnows (Cyprinodon variegatus). For RDX, maximum mortality occurred during the first two days of exposure with a 10-d median lethal concentration (LC50) of
Journal of hazardous materials, 217-218, 187-193 (2012-04-07)
2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) are common contaminants around active military firing ranges. Dissolution of these compounds is usually the first step prior to their spreading in subsurface environments. Nevertheless, dissolution of individual TNT, RDX, and HMX under
The dissolution of the 2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) from microscale particles (<250μm) of the explosive formulation Composition B was examined and compared to dissolution from macroscopic particles (>0.5mm). The dissolution of explosives from detonation soot was also
The journal of physical chemistry. A, 114(16), 5372-5376 (2010-04-07)
We apply a simple strategy for calculating from first principles a thermodynamically complete equation of state for molecular crystals using readily available quantum chemistry techniques. The strategy involves a combination of separate methods for the temperature-independent mechanical compression and the
Journal of molecular modeling, 18(9), 4217-4223 (2012-05-04)
A series of polydinitroaminocubanes have been designed computationally. We calculated the heats of formation, the detonation velocity (D) and detonation pressure (P) of the title compounds by density function theory (DFT) with 6-311 G** basis set. The relationship between the heats
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