A study of thermodynamic properties of halogenated methane by the method of chemical bond parameter function
用键参数函数法研究卤代甲烷的热力学性质
Molecular structural parameters including inductive effect index(∑I),equilibrium electronegativity of atom(XE),total electron of atom nuclear external(∑e),total bond length of substituents to center atom(∑d) and electronegativity margin for all substituents(ΔX) were used model the 13C chemical shift of 45 halogenated methane.
利用描述电子效应的诱导效应指数(∑I)、原子的平衡电负性(XE)和反映核外电子云变形程度的总电子数(∑e)、各取代基到中心原子的化学键键长总和(∑d)以及各取代基电负性的和差值(ΔX)等参数对45个卤代甲烷化合物中的碳原子结构进行表征,并与其13CNMR谱化学位移建立了优良的定量结构-波谱关系模型:δC=-7403。
A correlation was investigated between the boiling points and molecular structure of halogenated methanes, and a new method was developed to calculate and predict the boiling points of halogenated methanes.
探讨了卤代甲烷的沸点与其分子结构之间的关系 ,发展了一种既能计算卤代甲烷沸点、又能预测未知卤代甲烷沸点的方法 。
Effect of Electronegativity and Polarizability on the C 1s Core Ionization Energies of Halomethanes;
原子电负性和极化度对卤代甲烷C 1s电子电离能的影响
The electrostatic effect constants for the substituents in an aromatic system were used firstly to study the bond dissociation enthalpy (BDE) of a halomethane system Y-CHnX3-n (n=0,1,2 and 3; Y=H,F,Cl,Br and I; X=F,Cl,Br and I).
将芳环上取代基的电子效应参数引入卤代甲烷,以卤代甲烷分子Y-CHnX3-n(n=0～3;Y=H,F,Cl,Br,I;X=F,Cl,Br,I)中Y—C键的标准键焓EYs-C与中心C原子相键连原子的场/诱导效应之和ΣFi、共轭效应之和ΣRi以及诱导偶极之和Σ(α×F)为参数,建立了一个定量估算卤代甲烷分子中Y—C键离解能(BDE)的通用模型,BDE(Y—C)=57。
It is observed that the removal efficiencies and the sonolysis rate constants of three halomethanes after 1h ultrasonic irradiation fitted the following increasing order:CHCl3< CHBrCl2<CCl4,and the degradation of halomethanes studied followed the pseudo-first-order kinetics model,respectively.
以饮用水中痕量氯仿、四氯化碳和一溴二氯甲烷3种卤代甲烷为目标化合物,采用超声辐照技术研究它们在不同条件下的去除效果。
Modeling the Δ_fH_m~θ of halomethanes based on support vector machines;
基于支持向量机的卤代甲烷Δ_fH_m~θ模型的构建
Modeling Δ_fH_m~θ based on AM1 quantum chemistry parameters of halomethanes in radial basis function neural network;
基于AMl量化参数的卤代甲烷Δ_fH_m~θRBF—NN模型的构建
Chemical Reactions of Laser Ablated Ti Atom with Halomethanes in Gas Phase;
金属Ti原子与卤代甲烷的气相反应研究
Autocorrelation Topological Research of the First Ionization Potentials for Haloalkanes;
卤代烷第一电离能的自相关拓扑研究
987?7)with the standard entropies of 88 haloalkanes.
其中0 TX,1Tc 与 88种气态卤代烷标准熵 (Sθm)显著相关 ,其复相关系数R为 0 9877,明显优于Kier的0 xv,1xv(其R仅为 0 75 97) 。
Study on the Vapor-Liquid Equilibra of the Multicomponent Systems Containing Halogenated Silane;
多元卤代硅烷体系的汽液相平衡研究
Application of MATLAB in Calculating Halogenated Silane Phase Equilibrium;
MATLAB在卤代硅烷体系相平衡计算中的应用
Halon1301 system
卤代烷1301系统
Halon replacement
卤代烷灭火剂替代品
halon gas extinguishing system
卤代烷气体灭火系统
Halon1301 battery
卤代烷1301灭火剂钢瓶组
Amines can engage in nucleophile substitution reaction with alky.
胺能参加与卤代烷的亲核取代反应。
Marine halon fire extinguishing system technical specifications
GB/T14088-1993船用卤代烷灭火系统技术条件
Code for design of halon 1301 fire extinguishing systems
卤代烷1301灭火系统设计规范
Code for design of haton 1211 fire extinguishing systems
卤代烷1211灭火系统设计规范
Halon1301 design concentrations for flame extinguishment
卤代烷1301灭火剂设计灭火浓度
Halon1301 design concentrations for inerting
卤代烷1301灭火剂设计惰化浓度
Equation for the Prepation of Amines from Alkyl Halides and Ammonia;
关于卤代烷与氨反应制备胺的方程式
This reaction, called the Hofman elimination, is quite analogous to the dehydrohalogenation of an alkyl halide.
这个反应称为Hofman消除反应，它很像卤代烷的脱卤化氢反应。
Investigation of Silane Crosslinked and Flame Retardant Polyolefin Elastomer Composites;
硅烷交联聚烯烃弹性体无卤阻燃复合材料的研究
Cloning and Functional Analysis of Methyl Halide Transferase;
卤代甲烷—甲基转移酶基因的克隆和功能研究
Field-Assisted Dissociative and Ionization of Dihalomethane Compounds Induced by Femtosecond Laser Field;
飞秒激光场下卤代烷烃分子的场致解离和电离
Palladium-catalyzed Intramolecular Coupling Reaction of Aryl Halide with Alcohol;
钯催化芳基卤代烷与醇的分子内偶联反应
