Resonance structure of water complexes of beta-HMX for THz frequencies

L. Huang; A. Shabaev; S. G. Lambrakos; N. Bernstein; V. Jacobs; L. Massa

doi:10.1117/12.923361

7 May 2012 Resonance structure of water complexes of β-HMX for THz frequencies

L. Huang, A. Shabaev, S. G. Lambrakos, N. Bernstein, V. Jacobs, L. Massa

Proceedings Volume 8382, Active and Passive Signatures III; 83820C (2012) https://doi.org/10.1117/12.923361
Event: SPIE Defense, Security, and Sensing, 2012, Baltimore, Maryland, United States

Abstract

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.

Citation Download Citation

L. Huang, A. Shabaev, S. G. Lambrakos, N. Bernstein, V. Jacobs, and L. Massa "Resonance structure of water complexes of β-HMX for THz frequencies", Proc. SPIE 8382, Active and Passive Signatures III, 83820C (7 May 2012); https://doi.org/10.1117/12.923361

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