The DFT study for the reaction of CH2=CHCOOH with O(3P)

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

【摘要】

：

　　The reaction of CH2=CHCOOH with O(3P)has been investigated by density functional theory.The geometries of reactant,intermediates,transition states and produ

【作者】

：

Jingyu Sun Shumin Wu

【机构】

：

College of Chemistry and Chemical engineering,Hubei Normal University Cihu Road 11,Huangshi,Hubei,43

【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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　　The reaction of CH2=CHCOOH with O(3P)has been investigated by density functional theory.The geometries of reactant,intermediates,transition states and products were optimized by M06-2X/6-311++G(d,p)and BHandHLYP/6-311++G(d,p)levels.

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The DFT study for the reaction of CH2=CHCOOH with O(3P)

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