Theoretical study of ansa-zirconocene catalyzed ethylene,propylene,1-butene,1-hexene and styrene pol

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:qukangmin
下载到本地 , 更方便阅读
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
Quantum chemical study on homopolymerization of ethene,propene,1-butene,1-hexene,and styrene by a Rac [Zr{1-Me2Si(3-Pr-(η5-C9H5))(3-H-(η5-C9H5))}ClCH3+] ansa-zirconocene catalyst were investigated [1].
其他文献
Quantum chemical DFT calculations were carried out on the possible structure and reaction pathways of formation of the experimentally observed dinuclear complex [CoⅡCoⅢ(dmgH)4(py)2(H2O)2]+[1] in water
会议
The conversion of the green gas of CO2 into CH4,which can reduce environmental pollution and make full use of carbon resources,is of fundamental and applied interest.
会议
Photoexcitation of iodide-polar solvent molecule clusters results in the transfer of an electron from an iodide localised orbital to a diffuse solvent cluster localised orbital,followed by extensive r
会议
Chloroethylnitrosoureas(CENUs) are a significant family of anticancer alkylating agents widely used in the clinical treatments of various human malignancies,including brain tumor,melanoma,lymphoma and
会议
The mechanism of Ag2CO3 catalyzed(3+2)cycloaddition of isocyanides and alkynes is investigated using density functional theory calculations.
会议
Molecular dynamics(MD) represents an important tool for modeling of the behavior of molecular systems in time.
会议
Methanol decomposition and synthesis on transition metals,usually concentrating in a particular set of reactions in the main reaction path,have been widely investigated by both theoretical and experim
会议
This study constitutes an extension of a previous research on the regioselectivity of the copper catalized cycloaddition of azides to alkynes1(CuAAC) by Quantum Chemical Topological methods.
会议
Olefin purification is an important process in the chemical industry because organic feedstocks are largely olefin based.
会议
In a context of rising environmental concerns,multicomponent reactions have been widely investigated during the past decades.Among these reactions,isocyanide based multicomponent reactions(IMCRs) are
会议