氨基修饰对腺嘌呤电荷输运性质的理论研究

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:zxy556
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
  由于天然DNA 在导电性方面还有一定限制,欲使其作为理想的分子器件材料应用于分子电子学,对其进行功能化修饰成为一种必然选择。我们对DNA中的碱基— — 腺嘌呤(A)进行氨基修饰,具体就是用— NH2 功能团取代腺嘌呤C2 位置上的氢原子。
其他文献
  To illustrate the formation mechanism of normal and abnormal N-heterocyclic carbene-carbon dioxide adducts(NHC-CO2 and aNHC-CO2),we implement DFT calculatio
会议
  Understanding the catalytic cleavage mechanism of the β–O–4 bond of lignin is of crucial importance for developing efficient depolymerization strategies
会议
  Density functional theory calculations were performed on Rh(Ⅲ)-catalyzed synthesis of indolines from arylnitrones and alkynes,which provides an efficient m
会议
  Recently,Liu et al(Chem.Sci.2015,6,2297-2301.)reported a green and novel approach to synthesizing α-hydroxy ketones from the hydration of propargylic alcoh
会议
  It has long been controversial whether there is an intermediate dark state between the S2 and S1 states of carotenoids.1 Recent two-dimensional electronic s
会议
  Irradiation on liquid water and ice by ultraviolet light in the range of 150-200 nm can create volatile OH radicals which react with other organic and inorg
  The solvation of excess electrons(EE)in bulk liquid medium shows unusual properties and has been widely studied.Investigations involving the solvation dynam
会议
  It is long believed that the Ti3d state of titania which is 0.7-1.0 eV below conduction band minimum(CBM)origins from the defect of oxygen vacancy(Ov)on sur
会议
the
  Jiang et al.[J.Am.Chem.Soc.2016,138,5218] recently reported a ligand-controlled Au(Ⅰ)-catalyzed regiodivergent intramolecular hydroarylation.
会议
  The energy level of the defect state in anatase TiO2 has been widely investigated using density functional theory with different functionals.Most of these s
会议