查询词典 first-order reaction

In addition, some modifications on several computational methods are also presented. Using LMTO method the electronic structure of several systems are studied, and some results are obtained. They are: The ideal Nb (100) surface has three surface states, the multi-layer relaxed surface has two surface states. The surface energy of the ideal surface is higher than that of the relaxed surface, that means that the multi-layer relaxed surface is more stable than the former one, which supports the LEED results. The mono-layer relaxed Ag (111) surface is the most stable one among several" stable surface models"presented by several researchers. The surface energy of Ag (111) surface is higher than that of surface Ag (001), which supports some experimental results such as different reaction rate at different surface orientations for the same material. The surafce states of Si (111) surface not only locate near the Fermi level, but also in the valence band, which agrees well with Cohen's conclusion. Si (111)-H is an effective model for analysing the surface states and H adsorbed on the back surface is a good method for improving the convincingness of the results obtained on thinner slab models. The surface stability depends on three different kinds of MoSi〓(001) surfaces, the surface with mono-layer Si is the most stable one, and the surface with Mo at the first layer is the most unstable one among them. These are consistant with the Kemoda's experimental results. The valence bands of clean or K adsorbed CdTe (111) surface agrees well with the synchrotron radiation studies. The surface of CdTe (111) consists of four kinds of surface models which show different surface electronic structures and different surface structure stabilities. The conclusion agrees well with Wu's experimental work. The different absorbed alkali metals on the CdTe (111) surface give different adsorption characteristics which have relations not only with the valence electrons, but also with the core ones of the alkali metals. The electonic structures of Si-C alloys are different from that of Si-Ge alloys, and the energy band gaps of Si-C alloys do not increase linearly with Carbon concentration, our conclusion supports Alexander's results, but conflicts with Soref's one.

现分述如下： LMTO方法及其应用方面：1）通过对Nb（100）表面电子态分析发现清洁理想表面有三个表面态，多层弛豫表面有两个表面态；表面能大小说明多层弛豫表面更稳定，支持了LEED结果。2）通过对采用不同方法获得的几种不同Ag（111）表面稳定结构的表面能计算分析，给出了单层弛豫表面为Ag（111）表面的最稳定结构；从Ag（111）单层弛豫表面和Ag（001）表面的表面能比较，发现了Ag（001）表面表面能要比Ag（111）小的，表明了同种物质不同表面取向将表现出不同物理、化学性质，这是与实验中得出的结论是吻合的，3）通过对Si（111）表面态分析，不仅发现了Si（111）表面不仅具有居于费米能级附近的悬挂键所对应的表面态，而且还有很多表面态位于价带能量范围内，与Cohen等结果一致，H饱和slab模型背表面相当于增加了slab层的厚度，是一有效的变相增加slab层厚的方法，弛豫表面较清洁理想表面价带谱们低能端的少许移动，预示着总能降低，说明弛豫表面较清洁理想表面稳定。4）MoSi〓具有三种表面，从费米能级上态密度值大小得到单层Si表面最稳定，Mo原子为表层原子的表面最不稳定，双层Si原子表面居中的结论，这与Kemoda等人实验结果是一致的。5）通过对CdTe（111）表面表面电子态、表面结构稳定性及表面H、碱金属吸附的电子结构系列研究，不仅得出了CdTe（111）清洁及碱金属K吸附价带谱与同步辐射光电子谱相吻合的结果，而且发现了CdTe（111）表面具有四类不同原子近邻特征，表现出四类不同的表面结构及电子结构特征：不同表面态分布、不同的表面结构稳定性（表层原子与次层原子成三键有一悬挂键的表面要比表层原子与次层原子成一键有三悬挂键稳定（与Wu等人实验结果一致））、不同的H吸附特性。

Cringe My first reaction was one of horror .

我最初的反应是害怕。

A metal material which has a thermal expansion coefficient lower than that of the cupper and causes solid-phase reaction with the cupper at a temperature of 400 DEG C or higher is used for the first electrode material.

下述金属材料被用于第一电极材料，该金属材料具有比铜的热膨胀系数低的热膨胀系数，并且在400℃或更高的温度下与铜发生固相反应。

The first 3D dimensional polymeric cluster 〓(8) has been synthesized though solid state reaction, the X-ray structural analysis showed that the three-dimensional framework of 8 has a very high degree of symmetry with three mirror planes and one four rotation axis in I4/mmm space group, and composed of two building blocks 〓 and 〓 bridged by S-Cu〓 and Cu〓-Cl bond.

化合物6非线性折射值n〓为-9.3×10〓m〓·w〓，显示自散焦性质，与我们以前观察到的现象相反，这可能是配体作用造成的；非线性吸收值α〓 1.23×10〓m·w〓，表现出较强的非线性吸收效应。

Density Functional Theory in connection with accurate LCAO basis sets and norm-conserving pseudopotentials were used to study two issues which are (1) The Selective Functionalization of Single-Walled Carbon Nanotubes with Diazonium Radical and (2) The Molecular Dynamic Simulated IR Spectrum of Adsorbed C3H3 and I on the Ag(111) Surface.For the first, we investigated (1) NO2C6H4 direct addition (2) NO2C6H4N2 dissociative addition reaction on semiconductor (8,0), metallic (9,0)and(5,5) carbon nanotubes.

第一部分模拟的结果显示，在半导体性质(8，0)和金属性质(9，0)、(5，5)奈米碳管上，硝基苯自由基(NO2C6H4)的直接加成反应於不同导电性质的奈米碳管间不具有选择性，而硝基苯重氮化合物自由基(NO2C6H4N2)的解离吸附反应会选择性的与金属性质奈米碳管发生反应，因为在金属性质的系统中，奈米碳管於过渡态时会藉由电荷的转移来稳定过渡态的结构，进而帮助反应更快的进行。

3Azocalix[4]arene was first synthesized by coupling reaction of calix[4]arenes with BF_4~-salt of p-nitrobenzene diazonium.

3通过和对硝基苯偶氮四氟硼酸盐发生偶联反应，在杯[4]芳烃上沿引入了偶氮基团。

Chapter two: Using 5-(4-aminophenyl)-10,15,20-triphenylporphyrin as thestarting compound, the classical diazotization of aniline and the resulting reaction ofdiazo salts were applied to porphyrin for the first time, and a series of asymmetriclysubstituted meso-tetraarylporphyrins including 5-(4-chlorophenyl)-10,15,20-triphenylporphyrin, 5-(4-iodinphenyl)-10,15,20-triphenylporphyrin, 5-(4-cyanophenyl)-10,15,20-triphenylporphyrin, 5-(4-bisphenyl)-10,15,20-triphenylporphyrin and 5-(4-hydroxylphenyl)-10,15,20-triphenylporphyrin were synthesized.

第二章：在已合成的5-(4-氨基苯基)-10，15，20-三苯基卟啉基础上，首次将芳胺的重氮化及重氮盐反应应用于卟啉，合成了5-(4-氯苯基)-10，15，20-三苯基卟啉、5-(4-碘基苯基)-10，15，20-三苯基卟啉、5-(4-氰基苯基)-10，15，20-三苯基卟啉、5-(4-联苯基)-10，15，20-三苯基卟啉和5-(4-羟基苯基)-10，15，20-三苯基卟啉等一系列不对称取代的meso-四芳基卟啉。

It was found that the process of the dimerization of ethene can be divided into three steps: the chemical adsorption of first ethene molecule, the physical adsorption of second ethene molecule and the dimerization reaction.

研究表明，乙烯在分子筛上的二聚反应分三步进行：单个乙烯分子化学吸附→第二个乙烯分子的物理吸附→两乙烯分子二聚反应。

Silver nanowires with clean surface were synthesized via the redox reaction between Sodium diphenylamine sulfonate and AgNO in the absence of surfactant, seed, and nanoporous membrane and at room temperature for the first time.

首次在室温，和不用表面活性剂、无机硬模板、晶种的条件下，通过二苯胺磺酸钠和硝酸银的氧化还原反应，制备了表面洁净的银纳米线。

Of course, my first reaction was disbelief.

当然了，第一次我不相信。

We have no common name for a mime of Sophron or Xenarchus and a Socratic Conversation; and we should still be without one even if the imitation in the two instances were in trimeters or elegiacs or some other kind of verse--though it is the way with people to tack on 'poet' to the name of a metre, and talk of elegiac-poets and epic-poets, thinking that they call them poets not by reason of the imitative nature of their work, but indiscriminately by reason of the metre they write in.

索夫农 、森那库斯和苏格拉底式的对话采用的模仿没有一个公共的名称；三音步诗、挽歌体或其他类型的诗的模仿也没有——人们把&诗人&这一名词和格律名称结合到一起，称之为挽歌体诗人或者史诗诗人，他们被称为诗人，似乎只是因为遵守格律写作，而非他们作品的模仿本质。

The relationship between communicative competence and grammar teaching should be that of the ends and the means.

交际能力和语法的关系应该是目标与途径的关系。