Nonadiabatic surface-hopping dynamics simulations of 1,5-benzodiazepin-2-one

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：LIC3352

【摘要】

：

　　Photoluminescent materials are important due to their potential various applications in bioimaging,sensing,optoelectronic and so on,and attract more and mor

【作者】

：

Meng Che Shu-Hua Xia Yan Zhang

【机构】

：

College of Life and Environmental Sciences,Minzu university of China,Beijing,100081,China

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

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

　　Photoluminescent materials are important due to their potential various applications in bioimaging,sensing,optoelectronic and so on,and attract more and more attentions in recent years[1-2].

其他文献

激发态多态密度泛函理论及其在势能面构建和圆锥交叉方面的应用

　　现在主流的绝热态电子结构理论包括波函数理论和密度泛函理论(DFT)。波函数理论，为达到足够精度，必须使用多组态方法，计算量巨大。密度泛函理论计算量低，但由于缺乏静态相关，

会议

激发态多态密度泛函理论势能面构建圆锥计算量波函数

Optoelectronic Properties of Anti-aromatic and Aromatic Materials for Organic Photovoltaics

　　To date,the conjugated backbones of photoactive materials for organic solar cells are almost all based on aromatic moieties.In sharp contrast,the researches

会议

Electronic Polarization in an Organic π-π Stacking Crystal

会议

Exciton Decay in A-pi-A Non-fullerene Electron Acceptors for Organic Photovoltaics

　　Non-fullerene small molecule acceptors have been developing rapidly recent years.Here,we focus on a promising class of non-fullerene acceptors(NFAs),which a

会议

On the Highest Oxidation State of Iron: A DMRG Study

　　Oxidation state is one of the key concepts in chemistry.The distribution of the known highest oxidation state of 3d-transition metals reveals a tendency of

会议

Oxidation StatetheStudy

Theoretical Studies on Uranium-Iron Triple-Bonded UFe(CO)3-and OUFe(CO)3-Complexes

　　Understanding of actinide multiple bonding is vital in f-element chemistry.While actinide-containing metal-ligand multiple bonds are known,actinide-transiti

会议

金属掺杂硼墨烯团簇CoB18-的理论研究

　　自发现硼墨烯(borophene)单元B36团簇以来[1]，二维硼材料已成为材料学研究的热点之一。不同于石墨烯的是，硼墨烯具有更显著的结构多样性，可以通过不同的过渡金属掺杂而形成

会议

过渡金属掺杂掺杂硼团簇材料结构多样性学研究石墨热点

Indirect-to-Direct Band Gap Crossover in Few-Layer Transition Metal Dichalcogenides

　　Layered transition metal dichalcogenides(TMDs)have been found to exhibit the indirect-to-direct band gap transition when they are thinned to a single monola

会议

Intrinsic Charge Transport in Stanene:Role of Buckling and Electron-Phonon Coupling

　　Among two-dimensional materials,group IV elemental sheets such as graphene,silicene,germanene and stanene have been intensively investigated by first princi

会议

Persistent Room Temperature Phosphorescence from Pure Organic Luminogens Induced by the Dopant Chlor

　　Organic molecules with persistent room temperature phosphorescence(RTP)have attracted growing attention due to the long lifetime and inefficiency light emis

会议

Nonadiabatic surface-hopping dynamics simulations of 1,5-benzodiazepin-2-one

与本文相关的学术论文