Thermal unimolecular decomposition mechanism of 2,4,6-trinitrotoluene: a first-principles DFT study

Author： Chen Xiao-Fang Liu Ji-Feng Meng Zi-Hui Han Ke-Li

ISSN： 1432-881X

Source： Theoretical Chemistry Accounts, Vol.127, Iss.4, 2010-11, pp. : 327-344

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