查询词典 reactant

The method is based on the optimizing the reaction rate constant by annihilating two-way spectra of reactant and minimizing the residual standard deviation of residual matrix.

在获得动力学参数的前提下，利用最小二乘回归可解出包括中间体在内的各组分的吸收光谱。

The research of the thesis can be divided into four parts:Part one. The cheap raw materials, such as soluble glass, HCl, MAA were used as reactant. A aggregation SiO2 powder with network-type was prepared by controlling the ratio of material, temperature, time, mixing speed, which has smaller size than that of products sold in the market.

本论文研究工作分为四个部分：第一部分：采用价廉的水玻璃和HCL、MAA、CO2酸化体系为原料，通过材料配比、制备温度、时间、搅拌速度等工艺条件的研究，制备出比市场上销售的二氧化硅粒径更小的呈网络附聚体形态的SiO2粉体。

In the calculation for the nonadiabatic F2~P_(3/2, P_(1/2)+ H_2 reaction, it is foundthat Coriolis coupling and electronic coupling potential have a relatively minor effecton the reactivity from the ground state at lower translational energy, but a nonnegligible one at higher translational energy.

在本论文中我们把绝热的含时波包和RPD(reactant-product decoupling)反应散射计算扩展到了能够包括F 原子外壳层电子的自旋和轨道角动量的非绝热计算，并在ASW(Alexander-Stark-Werner)势能面上研究了这些反应的非绝热效应。

Self-catalyzed characteristic of choline chloride based on kinetics is further proved by studying the effect of reactant concentration during the process of synthesis of choline chloride from the chloroethanol and trimethylamine.

通过研究由氯乙醇和三甲胺反应合成氯化胆碱过程中反应物浓度的变化规律，进一步从动力学角度验证了氯化胆碱的自催化特性。

For example, in the limit of very weak spin-orbit coupling, a system approaching the crossing region from the reactant side is most likely, in diabatic terms, to remain on surface 1, and then return to reactants.

例如，在极弱旋-轨耦合极限，当系统从反应物一侧接近交叉区域，用非绝热术语表述为系统很有可能继续待在势能面1上，然后返回成反应物。

The synthetic progress of polysuccinimide using maleic acid as original material was studied by two steps of aminization and polymerization. Changes of reactant and product composition in aminization reaction step was studied by using bromine value analysis method. It was found that amine salt and amide were main products in this step.

对以马来酐为原料合成聚琥珀酰亚胺的两个反应过程进行了研究，通过溴价测定法研究了胺化反应阶段反应物及产物各组分的变化情况，确定胺化反应阶段的产物组分主要是胺盐和酰胺。

For double jet method, effects of used solvent, shape of stirrer, adding reactant position, reaction temperature, excessive silver ion concentration in reaction solution and adding rate on the nucleus formation, and growth of silver behenate crystal were systematically studied.

本文分别采用单注沉淀法和双注沉淀法制备了山嵛酸银晶体，通过对两种制备方法的对比及优选，最后确定双注沉淀法更适合制备细粒径的山嵛酸银，通过采用SEM、TEM等对山嵛酸银晶体形貌的表征发现，制备山嵛酸银所使用的溶剂、搅拌方式、加料的位置、反应温度、反应初始液中银离子浓度及加料速度等，均对山嵛酸银的晶体成核与生长有一定的影响。

In this thesis,the AM1,MNDO,MINDO/3(mainly AM1)and INDO/S-CI semiempirical MO methods were used toinvestigate the excited-state intramolecular protontransfer reactions of salicylic acid derivatives—salicylic acid,methyl salicylate,salicylaldehyde,o-hydroxyaceto-phenone,salicylamide and 3-hydroxy-picolinamide (6 conformers and 2-3 anion species);2-(2'-hydroxy-5' methylphenyl) benzotriazole(4 conformers),2-(2' hydroxyphenyl) benzimidazole (3 conformers and 3anion species),Bis-2,5-(2-benzoxazolyl)hydroquinone(3 conformers),2-(2'-hydroxyphenyl)benzothiazole(2conformers) and 7-azaindole dimer (2 conformers).Theinvestigations were described as follows.Geometry optimization,relative stability andhydrogen bonding energy First,for sylicylic acid derivative molecules,the AM1,MNDO and MINDO/3 methods were used toinvestigate ground-state geometry optimization,energies,relative stabilities and hydrogen-bondingenergies on the five kinds of the molecules(designing 6 conformers and 2-3 anion species).Comparing with experimental data,the optimizedgeometry,the order of stability,the hydrogen-bonding energies and the distances between O-O in O-H..O hydrogen bonds by AM1 method were in agreementwith the experimental data,however,the C-C bondlengths optimized by MNDO and MINDO/3 were longer,C-O and O-H bond lengths were shorter;for C-N bondlengths,the results opitimized by MNDO method werethe same as those by AM1 method,nevertheless the C-Nbond lengths given by MINDO/3 method were muchshorter.For some sylicylic acid derivatives(e.g.methyl salicylate,salicylamide),the order ofstabilities on the conformers given by MNDO andMINDO/3 methods were not in agreement with theexisting conformers deduced by experimental methods,and the hydrogen bonding energies calculated by MNDO.and MINDO/3 methods were smaller.Second,the studyon the other systems found that the optimizedgeometry of the proton-transfered product with INDOmethod could not be obtained,only could theoptimized geometry of reactant be obtained,and thecalculated hydrogen bonding energies were greater.Many results of calculation indicated that the studyon the excited-state intramolecular proton transferreaction system using AM1 method was suitable andreliable.

本论文用AM1、MNDO、MINDO/3（主要是AM1）和INDO/S-CI半经验分子轨道方法对水杨酸衍生物系列——水杨酸、水杨酸甲酯、水杨醛、O-羟基乙酰苯酮、水杨酰胺和3-羟基吡啶酰胺（6种异构体和2-3种阴离子）；2-（2'-羟基-5'-甲基苯基）苯并三〓唑（4种异构体）；2-（2'-羟基苯基）苯并咪唑（3种异构体和3种阴离子）；2，5-二间氮杂氧茚氢醌（3种异构体）；2-（2'-羟基苯基）间〓杂硫茚（2种异构体）和7-〓吲哚二体（2种异构体）的激发态分子内质子转移反应在以下几个方面进行了较系统的理论研究：几何构型优化和相对稳定性及氢键能首先以水杨酸衍生物系列分子为例，用AM1、MNDO和MINDO/3方法考察了5种分子（每种分子设计6种异构体和2-3种阴离子）的基态几何构型优化，能量、相对稳定性和氢键能计算，通过和实验数据进行比较，AM1方法给出的优化几何构型、稳定性次序、氢键能和O—H。。。O氢键的0—0距离与实验数据吻合最好，MNDO和MINDO/3方法优化的C-C键长偏长，C-O键和O-H键长偏短；对于C-N键长，MNDO和AM1优化结果差别不大，而MINDO/3给出了过短的C-N键长，MNDO和MINDO/3方法给出的有些水杨酸衍生物分子（如水杨酸甲酯和水杨酰胺）异构体的稳定性次序和实验上推测的可存在异构体结果不一致，MNDO和MINDO/3方法给出的氢键能偏低，对其他体系的研究发现INDO方法常常不能得到质子转移产物的优化几何构型，只能得到反应物的优化构型，并且估算的氢键能偏高，大量的计算结果表明AM1方法对本论文研究的激发态分子内质子转移反应体系是适宜和可靠的。

Analyse and compare what adopt a variety of pair of methods, the Michael addition reaction of ester of acerbity second of second of hydroxyl of protection of benzyl of the response of close nucleus addition that uses second nitrile and ester of formic acid second certainly, chloridize, cyanogen, reaction that take off carboxyl generates 3- benzyl oxygen radical the fifth of the ten Heavenly Stem the method of 2 nitrile, detailed discussion the action that wait and the by-product that arise possibly reach the reactant in each pace reaction, activator, dissolvent avoid a method.

通过对多种方法的分析和比较，确定采用乙腈和甲酸乙酯的亲核加成反应、氯化苄保护羟基、氰乙酸乙酯的Michael加成反应、脱羧反应生成3-苄氧基戊二腈的方法，并具体的讨论了每一步反应中反应物、催化剂、溶剂等的功能和可能产生的副产物及避免方法。

As hydrogen atoms and catalyst atoms are normally found bound together as molecules or are bound in other compositions of matter, BlackLight has invented a solid fuel that uses conventional chemical reactions to generate the catalyst and atomic hydrogen at high reactant densities that in turn controllably achieves very high power densities.

通过分离出该进程中的能量产物，用外界元素中电解水。使用水作为燃料，不可见光发电机的可用成本是不昂贵的，而且，他不会带来空气污染或者放射性废物，还具有商业使用价值的氢成分作为氢产物。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。