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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。

Factory engaged in transfer printing industry for many years, has advanced a number of hot transfer printing machines Units.

本厂从事转移印花行业多年,有先进的热转移印花机数台。

This paper analyses the transfer pricing strategy of technology research institutes.

本文研究了技术研发企业进行技术转移时的转移定价策略问题。

And the viscosity is also able to determine ink transfer rate, viscosity, transfer rate has declined.

并且粘度还能够决定油墨的转移率,粘度大,转移率就有所下降。

RESULTS: The diagnosis rates of ultrasonography and spiral or thin-cut computed tomography were 70.0%(7/10) and 84.6%(11/13). Ten patients received adrenalectomy with negative resection margins, 4 of them received laparoscopic adrenalectomy.

结果:本组患者经B超和CT检查,对肾上腺肿物的诊断率分别为70.0%(7/10)与84.6%(11/3)。10例行肾上腺转移癌手术切除,其中4例患者于术后1个月至5年间行腹腔镜肾上腺转移癌切除,切缘均无癌细胞。

Fluorescence resonance energy transfer is an analytical method by transfering energy between fluorescent substances.

荧光共振能量转移是一种通过荧光物质间发生荧光能量转移进行分析的实验方法。

Transfer the Goods from one conveyance to another including transhipping or carrying the same on another vessel than that named on the front of their House Bill of Lading or by any other means of transport whatsoever

将货物从一种运输工具转移至另他之上,包括将货物装上或者转移到另一与任何相关提单指明船只无关的船上,或其他运输方式。

I talked about another topic to divert his attention.

我用转移话题来转移他的注意力。

There is an increasing need to better understand the fate of domoic acid, in aquatic ecosystem. In this report, partial cDNA of hepatic cytochrome P-450 1A (CYP1A), giutathione S-transferase alpha, glutathione S-transferase rho, heat shock protein 70 (HSP70), Na~+/K~+-ATPase alpha 1(ATP 1A1) and beta-actin gene from rabbitfish were obtained by PCR using degenerate primers, which respectively were 900 bp, 582 bp, 615 bp, 660 bp, 749 bp and 554 bp in length.

本研究成功克隆了黄斑篮子鱼肝脏第Ⅰ时相去毒酶细胞色素P450 1A,第Ⅱ时相去毒酶谷胱甘肽S-转移酶alpha和谷胱甘肽S-转移酶rho(GS7R),热休克蛋白70(HSP70),钠钾ATP酶alpha 1(ATP1A1)和β-肌动蛋白基因的核心序列,它们分别长900 bp,582 bp,615 bp,660 bp,749 bp和554 bp。

So the author can take legal steps and cut the chain of transferral of rights in the transferral to company B.

所以作者可以采取法律程序,并且切断转移到乙公司的转移链。

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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。

You rap, you know we are not so good at rapping, huh?

你唱吧,你也知道我们并不那么擅长说唱,对吧?