Accurate Calculation of the Energy Barriers and Rate Constants of the Large-size Molecular Reaction System for Abstraction from Alkyl Hydroperoxides
- Corresponding author: Li Zerong, lizerong@scu.edu.cn
Citation: Chen Fangfang, Sun Xiaohui, Yao Qian, Li Zerong, Wang Jingbo, Li Xiangyuan. Accurate Calculation of the Energy Barriers and Rate Constants of the Large-size Molecular Reaction System for Abstraction from Alkyl Hydroperoxides[J]. Acta Chimica Sinica, ;2018, 76(4): 311-318. doi: 10.6023/A18010015
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R, RC, TS, P represent reactant, reactant complex, transition state, product, respectively