Density functional theory for N–NO2 bond dissociation energies of N-nitroacylamide compounds in acetonitrile — Theoretical method assessment and prediction

Author: Li Xiaohong   Wang Huixian   Fu Zhumu   Zhang Xianzhou  

Publisher: NRC Research Press

ISSN: 1480-3291

Source: Canadian Journal of Chemistry, Vol.90, Iss.6, 2012-06, pp. : 526-533

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Abstract