Resonance structure of water complexes of β-HMX for THz frequencies
2012
Calculations are presented of ground state resonance structure associated with water complexes of -HMX using
density functional theory (DFT), which is for subsequent construction of permittivity functions to be used for
simulations of explosives detection within a humid environment. The DFT software GAUSSIAN was used for
the calculations of ground state resonance structure presented.
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