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5. Role of water clusters in the reaction of the simplest Criegee intermediate CH2OO with water vapour

Role of water clusters in the reaction of the simplest Criegee intermediate CH2OO with water vapour

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：yqwang1023

【摘 要】

：

　　A comprehensive theoretical study on the role of water clusters((H2O)n,n=3-5)in the reaction of CH2OO with water vapour is done at the CCSD(T)//M06-2X/6-311

【作 者】

：

Long Chen Junji Cao Yu Huang Wenliang Wang 

【机 构】

：

Key Lab of Aerosol Chemistry & Physics,Institute of Earth Environment,Chinese Academy of Sciences,Xi

【出 处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

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　　A comprehensive theoretical study on the role of water clusters((H2O)n,n=3-5)in the reaction of CH2OO with water vapour is done at the CCSD(T)//M06-2X/6-311+G(2df,2p)level of theory.

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