• 不 限
  • 期刊论文
  • 硕博论文
  • 会议论文
  • 报 纸
  • 英文论文
  2. 您的位置
  3. 首页
  4. 会议论文
  5. Theoretical studies on the oxidation mechanisms of thioanisole(PhSMe)by H2O2

Theoretical studies on the oxidation mechanisms of thioanisole(PhSMe)by H2O2

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：bonkoliu
【摘 要】
：
Thioanisole(PhSMe),a simulant of the vesicant mustard gas(HD),could be oxidized into PhS(O)Me and PhS(O)2Me by H2O2 vapour or aqueous H2O2 solution.
【作 者】
：
S.P.Zhao H.L.Xi X.Q.Ding Z.C.Wang L.Pan 
【机 构】
：
State Key Laboratory of NBC Protection for Civilian,P.R.China;Beijing Institute of Pharmaceutical Ch
【出 处】
：
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
：
2015年5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
Thioanisole(PhSMe),a simulant of the vesicant mustard gas(HD),could be oxidized into PhS(O)Me and PhS(O)2Me by H2O2 vapour or aqueous H2O2 solution.
其他文献
On the catalytic role of IrOn+(n=0-2)in the oxygen transport activation of N2O by H2:a density funct
The oxygen-transfer reactions of N2O and H2 catalyzed by IrOn+(n=0-2) incorporates two possible reaction pathways along with quintet and triplet states.
会议
A QM/MM study of the halogenation by SyrB2
The MD simulation followed by multiscale modelling was performed to explore the conformational properties of SyrB2 halogenase and to elucidate the mechanism of selective halogenation.
会议
Theoretical study on the reaction mechanism of β-chloride elimination from square-planar nickel comp
The β-chloride elimination or β-hydrogen elimination usually undergoes a ligand dissociation process(Scheme 1,Path A) in an organometallic textbook.
会议
Electronic chemical potential and chemical hardness at finite temperatures
The electronic chemical potential μ and the chemical hardnessη are the two most important global reactivity indexes related with the response of an electronic system to the transference of electronic
会议
Unravelling doping effects of Tos on PEDOT at the molecular level:from geometry to thermoelectric tr
There have been emerging interests in organic thermoelectric(TE) properties.The role of chemical doping has been found to be one of the most successful strategies to optimize the TE properties.
会议
Theoretical investigation of the reactions of difluordisulfane and thiothionylfluoride with hydroxyl
In view of their thermal stability and electric properties,difluorodisulfane(FSSF) and thiothionylfluoride(S=SF2) are considered to be potential insulting gases for SF6 replacement in the GIS electric
会议
On the proper treatment of the electrostatic interaction in computer simulations:Ewald artifacts and
The basic papers of Ewald type algorithms(e.g.Particle Mesh Ewald techniques) have been cited more than 10000 times in the past decade and hence Ewald sum with the tinfoil boundary condition has been
会议
Mechanistic Insights on the full hydrogenation of pyridine catalyzed by the lewis acid C6F5(CH2)2B(C
The reaction mechanism for the full hydrogenation of 2-phenyl-6-methyl-pyridine catalyzed by the Lewis acid C6F5(CH2)2B(C6F5)2 was investigated in detail by density functional theory calculations.
会议
Three-phase junction as a single-way-valve for electron-hole separation in anatase/rutile photocatal
The heterophase solid-solid junction as an important type of structure unit has wide applications for its special mechanics and electronic properties.
会议
Reaction of amido-digermynes/distannyes with olefins/alkynes:theoretical study on chemical bonding a
It has been experimentally demonstrated that amido-digermynes can react with unsaturated substrates,such as olefins,dienes,and alkynes,to generate the symmetryforbidden [2+2] cycloaddition products.
会议