UScholar Works
 
Filters: Department: "Chemistry" Publication Type: "abstract"
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TitleDateType
1 Ab initio calculations of reactive pathways for ?-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (?-HMX)2000Text
2 Branching ratio and pressure dependent rate constants of multichannel unimolecular decomposition of gas-phase ?-HMX: an ab initio dynamics study2001Text
3 Carbon-13 chemical shift tensors in polycyclic aromiatic compounds. 9. Biphenylene2000Text
4 Competitive vaporization and decomposition of liquid RDX2000Text
5 Direct ab initio dynamics studies of the hydrogen abstraction reactions of hydrogen atom with fluoromethanes1999Text
6 Electronic structure calculation of the structures and energies of the three pure polymorphic forms of crystalline HMX2000Text
7 Estimating realistic confidence intervals for the activation energy determined from thermoanalytical measurements2000Text
8 High level ab initio and density functional theory evaluation of combustion reaction energetics: NO2 and HONO elimination from dimethylnitramine1999Text
9 Importance of polarization in simulations of condensed phased energetic materials1999Text
10 Kinetic study of stabilizing effect of oxygen on thermal degradation of poly(methyl methacrylate)1999Text
11 Kinetics of thermal decomposition of cubic ammonium perchlorate1999Text
12 Systematic coarse-graining of nanoparticle interactions in molecular dynamics simulation2005Text
13 Thermal activation of the high explosive NTO: sublimation, decomposition, and autocatalysis2002Text
14 Thermal decomposition of a melt-castable high explosive: isoconversional analysis of TNAZ2002Text
15 Thermal dissociation kinetics of solid and liquid ammonium nitrate2001Text
16 Thermal rate constants of the NO2 fission reaction of gas phase ?-HMX: a direct ab initio dynamics study2000Text
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