Investigate chemical reaction rates with RPMD

来源 :第十五届全国化学动力学会议 | 被引量 : 0次 | 上传用户：zhouqiuhe1

【摘要】

：

The determination of chemical reaction coefficients plays central role in the chemical kinetics modeling of combustion,atmospheric and interstellar chemistry by

【作者】

：

Yongle Li Hua Guo Daiqian Xie

【机构】

：

DepartmentofPhysics,InternationalCenterofQuantumandMaterialStructures,ShanghaiUniversity,Shanghai,20

【出处】

：

第十五届全国化学动力学会议

【发表日期】

：

2017年8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

The determination of chemical reaction coefficients plays central role in the chemical kinetics modeling of combustion,atmospheric and interstellar chemistry by offering key parameters.

其他文献

C-H伸缩振动光谱的费米共振去除方法

　　C-H基团是生物有机分子中含量最多的基团，该基团的振动光谱常被用于研究生物有机分子。在CH伸缩区间的振动光谱中，常常伴随C-H弯曲振动模式和C-H伸缩振动模式的费米共振。

会议

C-H伸缩振动费米共振同位素取代C-H键长光谱归属

超快强激光诱导的原子分子中性里德堡态激发

　　当原子分子处于光强＞1013Wcm-2的超快强激光场中，光电离电子在激光场和库仑势共同作用下可诱导很多新的高度非线性的物理现象，如高价高次谐波发射、高阶阈上电离、非序列多

会议

激光诱导原子分子中性高里德堡态强激光场物理现象高次谐波发射阈上电离

Terahertz Vibrational Spectroscopy in Molecular Crystalline Systems

　　Thanks to the significant advance of terahertz(THz)technology in the past two decades,THz spectroscopy has become a routine characteristic tool in many labo

会议

Recent Progresses in Cold Molecule Physics

　　As a nature development of cold atom physics,cold molecule physics have been developed for more than 20 yeas.It has valuable applications range from precisi

会议

cold moleculesquantum chemistrylaser cooling

Ultrafast Dynamics in DNA Model System

Ultrafast laser experiments on carefully selected DNA model compounds probe the effects of base structure,base stacking,base pairing,and structural disorder on

会议

Simulating two-dimensional non-linear photon echo spectra:By using the normally ordered form of Hami

　　In this paper,we propose a method for theoretically simulating the response functions and then the 2D,third-order,non-linear,photon response spectra obtaine

会议

界面化学反应时间分辨动力学的二阶非线性光学研究

　　表/界面分子体系处于特殊的二维受限环境，其所受的空间位阻效应以及分子间作用力与体相分子有着很大区别，造成其截然不同的化学反应的动力学行为与分子机理。但由于传统光

会议

界面化学反应时间分辨化学反应动力学二阶非线性光学分子间作用力检测灵敏度空间位阻效应动力学行为

Kinetics of heterocumulene OCNSO in cryogenic matrixes

　　Small inorganic molecules bearing multiple-bonding C,O,S,N atoms are of astrochemical and biological relevance that have been the targets of numerous experi

会议

flash vacuum pyrolysismatrix isolationkineticsactivation barriersphoto-induc

Ultrafast Vibrational Energy Transfer of Interfacial Membrane Proteins at the Membrane/Water Interfa

会议

Force Field Development and Fragment based Ab Initio Molecular Dynamic Simulation for MetalloProtein

会议

Investigate chemical reaction rates with RPMD

其他学术论文