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Calculations of bond dissociation energies and dipole moments in energetic materials using density-functional methods

Fang-Pei Zhang1, Xin-Lu Cheng, Zi-Jiang Liu

  • 1Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800, PR China. zhangfangpei@163.com

Journal of Hazardous Materials
|April 21, 2007
PubMed

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