位置：成果数据库 > 会议 > 会议详情页
Mechanism of Intramolecular C-H amination by DFT
  • 所属机构名称：陕西师范大学
  • 会议名称：第十二届全国量子化学会议
  • 时间：2014.6.13
  • 成果类型：会议
  • 相关项目：基于噻吩-苯低聚物的多功能有机电致发光材料结构的理论设计
同会议论文项目
基于噻吩-苯低聚物的多功能有机电致发光材料结构的理论设计
期刊论文 37 会议论文 20
同项目会议论文
溴化亚铁催化胺化分子内C-H键胺化反应机理的DFT研究
CH4 + BCl3 + H2体系制备碳化硼气相解离反应的速率常数
CH_3SS与CN自由基反应机理研究
Theoretical Studies on the Mechanisms and Kinetics of the Reaction between CH3CH2O and OH Radicals
Criegee中间体CH3CHOO与OH自由基反应机理的理论研究
Water-catalyzed decomposition and isomerization of the simplest Criegee intermediate CH2OO
基于蒽并[2,3-c]噻吩半导体材料的分子设计与电荷传输性质预测
萘二酰亚胺类电子受体材料分子设计与开路电压的理论调控
Electronic Structure, Optical Properties, and Carrier Transfer Parameters of Pyrizine-substituted Te
Catalytic effect of a water molecule on atmospheric reaction of HO2 + OH: Fact or fiction? A mechani
Thermal Decomposition and Isomerization of 1-Heptyl Radical: A Computational Study 
Electronic and Charge Transport Properties of TTH and Its Derivatives: The Effects of Heteroatoms an
Theoretical Kinetic Study of Thermal Unimolecular Decompositionof Methylcyclohexane
Theoretical investigation on charge-transport properties of benzo[1,2-b:4,5-b’]bis[b]benzothiophene
A wide range kinetic model study of decomposition and isomerization of 3-Me-1-heptyl radical (211731
Crystal Structure Prediction and Carrier Mobility Simulation of Chlorinated Pentacenes
Thermal decomposition of normal decane: reaction mechanisms, product distributions and rate constant
白皮杉醇及其衍生物抗氧化活性的理论研究
On the possible catalytic role of a single water molecule on O-3(2) formation in the HO2 + OH gas ph