次序

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。

He put the best brains in the order and the order against the worst over!

他的大脑就把最佳的次序与最差的次序反了过来！

The variation of the box girder's stress and strain is discussed according to the results of the different tensioning sequence. And according to the comparison of the simulation results, a reasonable tensioning sequence is given. It will provide reference for the design and construction of similar projects.

从中探讨了在不同张拉次序下箱梁的应力、变形的变化规律，并通过对仿真计算结果进行分析比较，给出了预应力筋的合理张拉次序，可为同类工程的设计与施工提供参考。

The order in which this takes place is similar to that of proposing toasts, placing those of higher social status first.

斟酒的次序同敬酒的次序一样也是有长幼高低之分的。

Just while appearing to have same external"order of sequence of three quantity", need according to its part of prosperous and crack-up of degree, choose order of sequence, then, again decide it the system internal and whole"5 lines"s are exhausted of circumstance.

只是在出现具有相同的外部&次序的参量&时，需要根据其出号局部的旺盛和衰弱的程度，来选择先后次序，然后，再决定其系统内部整体&五行&被损耗的情况。

This order is basically in line with the decrease of chloro-content of the adsorbents from PVC to SP.

该次序基本上与从聚氯乙烯到固体石蜡吸附剂中氯含量逐渐降低的次序相一致。

This is a distinctly un-Kantian conclusion to draw and at other times Strawson seems to be defending a weaker thesis. Shortly after the first quote I cited Strawson writes,"objects and happenings … are presented as possessing an objective order, an order which is logically independent of any particular route through the world".

这是一个非康德式的结论，Strawson在其他时间似乎捍卫的是一个更弱的观点：对象，偶然东西……是显现为presented as拥有客观性次序，这个次序逻辑上独立于任何特定世界通道any particular route through the world。

In Europe, priorities had to be set and POWs came toward the end of the list.

在欧洲美军，供应有优先次序，战俘自然排在次序名单最末尾。

While object-verb orderings are more consistent with the notion of direct manipulation, there are certainly cases where the verb-object command order is more useful or usable .

对象—动词次序更适合用在直接操作的场合，当然也有一些场合中可能动词—对象命令次序更有用或者更可用。

The routines are "rudimentary" because the calls to afree must be made in the opposite order to the calls made on alloc.

之所以说这两个函数是&不完善的&，是因为对afree函数的调用次序必须与调用alloc函数的次序相反。

The absorption and distribution of chromium were studied in ryeusing nutrient culture technique and pot experiment.

采用不同浓度K2CrO4(0，0.4，0.8和1.2 mmol/L)的Hoagland营养液处理黑麦幼苗，测定铬在黑麦体内的亚细胞分布、铬化学形态及不同部位的积累。

By analyzing theory foundation of mathematical morphology in the digital image processing, researching morphology arithmetic of the binary Image, discussing two basic forms for the least structure element: dilation and erosion.

通过分析数学形态学在图像中的理论基础，研究二值图像的形态分析算法，探讨最小结构元素的两种基本形态：膨胀和腐蚀；分析了数学形态学复杂算法的基本原理，把数学形态学的部分并行处理理念引入到家实际应用中。