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Li Wang, Jinmiao Wen, Hongqing He and Jinglai Zhang A dual-level direct dynamics study on the hydrogen abstraction reaction of oxygen atom with methylhydrazine International Journal of Quantum Chemistry 113

Article first published online: 30 APR 2013 | DOI: 10.1002/qua.24458

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Diamine-based compounds such as methylhydrazine are used as rocket fuels, thereby making the relevant oxidation and hydrogen abstraction reactions interesting. This work calculates the rate constants and studies the mechanism of the hydrogen abstraction. In absence of experimental data, these results are expected to provide an insight into the dynamical properties of the reaction over a wide temperature range.

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