Theoretical studies on the mechanism and dynamics of the reaction of CF3CH2CH2CH2OH with OH radical

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：wen06080

【摘要】

：

　　The dual-level direct dynamics method has been employed to investigate the hydrogen abstraction reaction of CF3CH2CH2CH2OH with OH radical,which is predicte

【作者】

：

F.Y.Bai;R.S.Wang;X.M.Pan;

【机构】

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Faculty of Chemistry,Institute of Functional Material Chemistry,Northeast Normal University,130024 C

【出处】

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The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

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2015年期

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　　The dual-level direct dynamics method has been employed to investigate the hydrogen abstraction reaction of CF3CH2CH2CH2OH with OH radical,which is predicted to have five classes of possible reaction channels caused by different positions of hydrogen atom attack.

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