The Non-IRC Mechanism of OH Anion Reaction with CH3OOH Revealed by Direct Dynamics Simulation

来源 :第14届全国化学动力学会议 | 被引量 : 0次 | 上传用户：sjzafei

【摘要】

：

Removing ROOH in the atmosphere is important because they can lead to the redistribution of HOx and ROx radicals,which regulate the oxidation capacity of the at

【作者】

：

Li Yang Jiaxu Zhang

【机构】

：

AcademyofFundamentalandInterdisciplinarySciences,HarbinInstituteofTechnology,China

【出处】

：

第14届全国化学动力学会议

【发表日期】

：

2015年8期

下载到本地 , 更方便阅读

下载此文赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

Removing ROOH in the atmosphere is important because they can lead to the redistribution of HOx and ROx radicals,which regulate the oxidation capacity of the atmosphere.

其他文献

Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Tran

会议

The photochemistry of coadsorbed methanol and water on R-TiO2(110)-(1x1)

It has been reported that while pure TiO2 is photocatalytically inactive for splitting water to produce hydrogen,adding methanol can dramatically enhance its ph

会议

Effect of C-H Stretching Excitation on the Reaction Dynamics of F + CHD3 → DF + CHD2

Energy in different degrees of freedom has different efficiencies in driving chemical reactions.A lot of experimental studies have shown that many atom-plus-dia

会议

H+H2S(→)H2+SH反应动力学的理论研究

与OH3 体系类似,SH3 体系也是最简单的四原子反应体系之一.本文用高精度的从头计算以及人工神经网络拟合的方法构建了此反应体系的新的势能面,并在此势能面上计算了化学反应

会议

BBOv induced C-C coupling of acetaldehyde on TiO2(110)

BBOv induced C-C coupling of acetaldehyde has been detected on the TiO2(110) by temperature programmed desorption (TPD).

会议

A Narrow Bandwidth Laser System with High Resolution Time-of-Flight Spectrometer for Probing Resonan

会议

醛类分子在Rutile(110)表面的光化学反应研究

　　醛类分子在Rutile(110)表面的光解原理及光化学反应途径不是十分清晰。我们应用程序升温脱附谱和飞行时间质谱的方法研究了400 nm 光源照射条件下，甲醛及乙醛分子在Rutile

会议

类分子表面光化学反应乙醛分子氧原子化学反应过程飞行时间质谱升温脱附谱

Effect of Surface Structure on the Photoreactivity of TiO2

Although it has been widely accepted that the crystal phase,morphology and facet significantly influence the catalytic and photocatalytic activity of TiO2,estab

会议

CH4 dissociation on Ni(111) A quantum dynamics study of lattice thermal motion

Experiments showed that surface temperature has a significant effect on methane dissociation on Ni surfaces in particular at low incident energies.

会议

Chemical Dynamics Simulations of Microsolvated SN2 Reaction

The microsolvated SN2 reaction F-(H2O) + CH3I has been studied by means of ab initio calculations and direct dynamics simulations.

会议

The Non-IRC Mechanism of OH Anion Reaction with CH3OOH Revealed by Direct Dynamics Simulation

与本文相关的学术论文