分子反应动力学

分子反应动力学是化学反应动力学的一个分支。

Molecular reaction dynamics is a branch of chemical reaction dynamics .

分子反应动力学如何走向21世纪

How Does Molecular Reaction Dynamics Go into the 21st Century

结合模型化合物反应规律和引入碳中心方法，应用MonteCarlo方法建立了国产重油催化裂化分子反应动力学模型。

The molecular model of reaction kinetics for heavy oil catalytic cracking was developed in combination with the model compound reaction rules and the carbon center approach , using Monte Carlo program .

优化裂解HVGO分子反应动力学模型参数

Optimization of molecule reaction kinetics model parameter in HVGO cracking reaction

根据势能函数研究D+OT、T十OD和O+DT体系的准经典分子反应动力学过程。

The atomic and molecular reaction dynamic processes for the reaction systems of D + OT , T + OD and O + DT have been studied based on the present potential energy function .

基于Kumar的石脑油裂解过程的分子反应动力学模型，建立了某厂60kt/a裂解炉辐射段石脑油裂解数学模型。

Based on Kumar 's molecular kinetic models of naphtha pyrolysis process , a mathematical model for the radiant section of a 60kt / a pyrolysis furnace was established .

本论文对分子反应动力学有一定的贡献。

This paper is contribute to the kinetics of molecular reaction .

分子反应动力学是现代物理和化学之间的一门新兴学科。

Molecular dynamics is a new subject between modern physics and chemistry .

用气室法研究分子反应动力学的新进展

A new development in the study of molecule reaction dynamics in a bulb

分子反应动力学计算机模拟

The Calculational Simulation of Molecule Reaction Dynamics

分子反应动力学国家重点实验室

State Key Laboratory of Molecular Reaction Dynamics

分子反应动力学的新进展

Progresses in the molecular reaction dynamics

量子含时波包方法现在已经成为研究分子反应动力学的一个主要的理论方法。

Time-depended quantum wave packet method has became a major method of studying molecular reaction dynamics .

计算结果可为研究PdY团簇的微观分子反应动力学奠定基础。

The results can be regarded as foundation for molecular reaction dynamic processes investigation of Pd-Y clusters .

应用分子反应动力学模型在乙烯装置SRT-Ⅲ型裂解炉中对加氢裂化尾油进行裂解模拟计算。

Molecule reaction kinetics model is used to simulate HVGO cracking process in SRT - ⅲ furnace .

主要从事分子反应动力学的实验和理论研究。

Our research group is carrying out theoretical and experimental studies of chemical and biochemical reaction dynamics .

分子反应动力学是基于原子、分子层面出发对一个基元化学反应的微观动态机理研究的科学。

Molecular reaction dynamics is based on the atomic and molecular stage to study an elementary reaction micro-dynamics mechanism .

分子反应动力学是化学研究的前沿领域之一，也是联系微观动力学和宏观动力学的桥梁。

Molecular reaction dynamics is one of the forefronts of the chemical research and the bridge between microscopic and macroscopic reaction dynamics .

建立在飞秒激光基础上的飞秒科学，使人们对分子反应动力学的研究进入了一个全新的更高的层次。

Femtosecond science , based on the femtosecond laser , makes the research of molecular reaction dynamics to a new and higher level .

势能面是分子反应动力学的基础，研究势能面的意义非常深远。

Potential energy surface ( PES ) is a basis of molecular reactive dynamics . The meaning of research of PES is very important .

上个世纪五十年代建立的分子反应动力学，继承了过去的碰撞理论，目前已深入到态态反应的细节。

Inheriting the old collision theory , modern molecular reaction dynamics developed in the fifties of last century has gone deep into the details of state-to-state reactions .

分子反应动力学是从分子或原子的微观层次出发研究不同状态下和不同分子体系中化学反应过程和机理的科学。

Molecular reaction dynamics is one to investigate the chemical reaction process and mechanism of different states for different molecular systems on micro level of molecules or atoms .

分子反应动力学是一门用分子层次的动力学行为来解释宏观化学反应的学科，它是化学动力学的一个重要分支。

Molecular reaction dynamics , which uses the dynamics of molecular collision to understand the rules of macroscopic chemical reaction , is an important branch of chemical dynamics .

该平台基于裂解反应动力学的严格机理模型和分子反应动力学模型，支持对多种热裂解原料的裂解过程模拟。

Based on the precise mechanistic model and molecular reaction kinetic model of cracking reaction kinetics , the platform can support the simulation of cracking process with various feeds .

本文从分子反应动力学的角度解释了电磁温度协同效应，并对非热效应作了一定的探讨。

In this paper the EMF temperature co effects are explained in a way of molecular reacting kinetics , and the athermal effects of EMF are also discussed to some degree .

近二十多年来，飞秒激光技术得到了极大的发展，并且成功的运用到了分子反应动力学领域，得到了丰富的反应动力学信息。

In the last two decades , femtosecond laser technics have obtained great development , and have been applied successfully to the study of molecular reaction dynamics and got lots of useful informations .

建立了基于分子反应动力学的氧等离子体化学反应模型，该模型包括了电子与氧分子，以及氧原子与氧分子的碰撞反应过程。

The model of plasma chemistry was developed to predict the appropriate electron mean energy and flow rate and discharge pressure for the generation of singlet oxygen molecule , based on physical chemistry with a simple reaction model .

光解动力学是分子反应动力学领域内的一个重要分支，随着相关研究的不断深入，光解动力学越来越向细致的态-态反应方向发展。

The molecular photodissociation dynamics is a very important part of molecular reaction dynamics , and the study of photodissociation dynamics has been developed to the details of state-to-state reaction with the evolution of the correlative experimental techniques .

离子速度影像法研究n-C7H（15）Br分子光解反应动力学

Photodissociation Dynamics of n-C_7H_ ( 15 ) Br Molecule by Ion Velocity Imaging

给出了油脂氢化反应中活化态氢与甘三酯分子反应的动力学模型。

A kinetic model of fat and oil hydrogenation is given in this paper .