Catalytic effect of water, water dimer and water trimer on the H_2S + ~3O_2 formation from the HO_2 + HS reaction in tropospheric conditions

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• 英文论文题名：Catalytic effect of water, water dimer and water trimer on the H_2S + ~3O_2 formation from the HO_2 + HS reaction in tropospheric conditions
• 论文作者：Tianlei Zhang
• 英文论文作者：Tianlei Zhang ; Shaanxi Province Key Laboratory of Catalytic Fundamental & Application ; School of Chemical&Environment Science ; Shaanxi University of Technology
• 年：2016
• 作者机构：Shaanxi Province Key Laboratory of Catalytic Fundamental & Application, School of Chemical&Environment Science, Shaanxi University of Technology;
• 会议召开时间：2016-05-06
• 会议录名称：第七届全国物理无机化学学术会议论文集
• 语种：英文
• 分类号：O643.31
• 学会代码：ZGHY
• 会议名称：第七届全国物理无机化学学术会议
• 会议地点：中国北京
• 主办单位：中国化学会、国家自然科学基金委员会
• 学会名称：中国化学会
• 页数：1
• 文件大小：144k
• 原文格式：D
• 会议级别：全国

摘要

<正>In this article,the reaction mechanisms of the H_2S+~3O_2 formation from the HO_2+HS reaction with catalyst X(X=H_2O,(H_2O)_2 and(H_2O)_3)have been investigated theoretically at the CCSD(T)/6-311++G(3df,2pd)//B3LYP/6-311+G(2df,2p)level of theory,coupled with rate constant calculations by using conventional transition state theory.Our results show that,incorporation of water,

引文

[1]English,A.-M.;Hansen,J.-C.;Szente,J.-J.;Maricq,A.-M.J.Phys.Chem.A 2008,112,9220.
    [2]Long,B.;Tan,X.-F.;Long,Z.-W.;Wang,B.-Y.;Ren,D.-S.;Zhang,W.-J.J.Phys.Chem.A.2011,115,6559.