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.

本論文用AM1、MNDO中国黄色一级A片免费看视频、MINDO/3（主要是AM1）和INDO/S-CI半經(jīng)驗(yàn)分子軌道方法對水楊酸衍生物系列——水楊酸A无码三级片电影免费、水楊酸甲酯、水楊醛日韩欧美中文字幕永久、O-羥基乙酰苯酮色色视频资源网站、水楊酰胺和3-羥基吡啶酰胺（6種異構(gòu)體和2-3種陰離子）古装一级婬片A片AAA毛片；2-（2'-羥基-5'-甲基苯基）苯并三〓唑（4種異構(gòu)體）日本黄色官网；2-（2'-羥基苯基）苯并咪唑（3種異構(gòu)體和3種陰離子）；2美女网站在线免费视频色。，5-二間氮雜氧茚氫醌（3種異構(gòu)體）综合性爱欧美吧；2-（2'-羥基苯基）間〓雜硫茚（2種異構(gòu)體）和7-〓吲哚二體（2種異構(gòu)體）的激發(fā)態(tài)分子內(nèi)質(zhì)子轉(zhuǎn)移反應(yīng)在以下幾個(gè)方面進(jìn)行了較系統(tǒng)的理論研究：幾何構(gòu)型優(yōu)化和相對穩(wěn)定性及氫鍵能首先以水楊酸衍生物系列分子為例，用AM1黄片ID久久、MNDO和MINDO/3方法考察了5種分子（每種分子設(shè)計(jì)6種異構(gòu)體和2-3種陰離子）的基態(tài)幾何構(gòu)型優(yōu)化A片综合网视频在线播放，能量、相對穩(wěn)定性和氫鍵能計(jì)算人人摸天天射，通過和實(shí)驗(yàn)數(shù)據(jù)進(jìn)行比較999久久久精品，AM1方法給出的優(yōu)化幾何構(gòu)型、穩(wěn)定性次序高清无码不卡在线观看、氫鍵能和O—H免费又黄又硬又大爽日本。。国产一级A片无码免费欧。O氫鍵的0—0距離與實(shí)驗(yàn)數(shù)據(jù)吻合最好九色国产精品，MNDO和MINDO/3方法優(yōu)化的C-C鍵長偏長，C-O鍵和O-H鍵長偏短小草在线一区二区欧美；對于C-N鍵長A片视频在线观看免费大全，MNDO和AM1優(yōu)化結(jié)果差別不大，而MINDO/3給出了過短的C-N鍵長99精品久久久99大香线蕉，MNDO和MINDO/3方法給出的有些水楊酸衍生物分子（如水楊酸甲酯和水楊酰胺）異構(gòu)體的穩(wěn)定性次序和實(shí)驗(yàn)上推測的可存在異構(gòu)體結(jié)果不一致97人在线看视频在线观看，MNDO和MINDO/3方法給出的氫鍵能偏低，對其他體系的研究發(fā)現(xiàn)INDO方法常常不能得到質(zhì)子轉(zhuǎn)移產(chǎn)物的優(yōu)化幾何構(gòu)型国产特黄精品视频，只能得到反應(yīng)物的優(yōu)化構(gòu)型亚洲另类欧美日韩爱V，并且估算的氫鍵能偏高，大量的計(jì)算結(jié)果表明AM1方法對本論文研究的激發(fā)態(tài)分子內(nèi)質(zhì)子轉(zhuǎn)移反應(yīng)體系是適宜和可靠的一级A片一级毛片一级在线看。

The novel complex (1) in which both benzylic nitrogens and heteroaromatic ones to the same metal ion with the rigid ligand imposed by the large heteroaromatic moiety first time was synthesized; a 2: 1 (ligand: metal ions) type complex which has steric resistance and strong thermochemical driving force was obtained. The crystal structures of characteristic ligand (LA4) and complexes (4, 7, 10), in which one cell includes two moieties: there exist minute difference in coordinated bonds and angles despite the same metal ions with the same ligand, were obtained. It shows that several stable conformation in one complex cell.

首次合成了含鄰菲羅啉的具有較大剛性的四氮配體中四個(gè)氮原子全部與同一金屬離子配位的配合物的晶體結(jié)構(gòu)91干屄；得到了一個(gè)在空間上存在位阻作用的配體與金屬離子2：1結(jié)構(gòu)的晶體亚州黄色一级无码；解析了具有特色的一個(gè)配體（LA4）和三個(gè)配合物（4、7和10）的晶體結(jié)構(gòu)哪里有a级片网站，其中的配體與金屬離子的配位作用顯示出細(xì)微的差異秋霞在线视频免费观看公开诱惑在线，表明在同一金屬配合物的晶胞中，可以同時(shí)存在著多個(gè)穩(wěn)定的構(gòu)象日韩偷窥自拍系列在线观看视频免费。

Therelative rates of the Rh-mediated carbenoid insertion into the benzylic C - H bonds of aseries of para-substituted phenyl substrates: methyl 2-diazo-3-oxo-6-(4-substituted phenyl)-4-propylhexanoate 47a - g, have been measured by an indirect intramolecular competitionmethod under the condition in which the possible steric and conformational effects have beenminimized.

為了將立體因素和構(gòu)象因素最大程度減小五十无码，以便較為準(zhǔn)確地評(píng)價(jià)電子效應(yīng)對該反應(yīng)的影響，設(shè)計(jì)并合成了不同對位取代基的化合物4-丙基-6-(4-取代苯基)-2-重氮基-3-氧代己酸甲酯47a-g又粗一黄A片无码视频免费，并研究了它們在不同Rh催化劑作用下的分子內(nèi)C-H插入反應(yīng)欧美日逼黄片。

Metal-Organic coordination polymers are formed by self-assemblythrough coordination bonds between bidentate or multbentate organic ligands and central metal ions.

金屬有機(jī)配位聚合物是通過含給電子基團(tuán)的雙齒或多齒有機(jī)配體和一種或幾種中心金屬離子通過配位鍵自組裝而形成的。

The seventh chapter mainly introduces the binominal tree model and studies the yields, prices and risks of bonds under the condition that rate is uncertain.

第七章主要介紹了二叉樹模型2018日日干得得啪。研究的是利率不確定情形下債券的收益91短视频在线免费观看、價(jià)格和風(fēng)險(xiǎn)。

So the stock price can be calculated by using Black-Scholes model and European call option binominal tree pricing model,the price of which depends on the price and maturity period of the corporation s bonds.

指出公司股票是基于公司價(jià)值的看漲期權(quán)国产a自拍，因此可用Black-Scholes模型和歐式看漲期權(quán)二叉樹定價(jià)公式對公司股價(jià)進(jìn)行計(jì)算日韩伊人久久不卡二区，其結(jié)果取決于公司債券到期時(shí)還本付息的金額以及債券的存續(xù)時(shí)間。

There are so many species of our goods,including Obeche,Okume,Poplar,Birch,Bintangor,Pencil-ceder and kinds of bonds(E2,E1,WBP,MR).

我們產(chǎn)品的種類主要有大白木久久精品欧美1024、奧古曼18岁禁看网站免费观看、楊木、樺木国产13一14娇小性、冰糖果自拍偷拍精品视频网，鉛柏波等，以及各種不同粘合劑的種類（E2日韩欧美一级视频免费播放，E1激情毛片免费看，WBP，MR）久久综合给合久久狠狠狠88。

The endocyclic Sn atoms exist in a distorted triginal bipyramidal geometry with the coordination number of 5. The exocyclic Sn atoms form 6 significant bonds and exist in a distorted octahedron geometry.

化合物12的X衍射單晶測定表明欧美大片a，化合物是以Sn2O2四元環(huán)為中心的中心對稱二聚體結(jié)構(gòu)、內(nèi)環(huán)錫為5配位的畸變?nèi)请p錐結(jié)構(gòu)小电影A片、外環(huán)錫為6配位的畸變八面體結(jié)構(gòu)国产黄片性爱。

As so as one could say from conviction,"I am Brahm," the bonds were broken that held him fast to the illusion of personal immortality and consequently to rebirth.

正如作為一個(gè)可以說從信念，&我梵天jjizz在线网站，&債券被打破了他的快速幻想的個(gè)人不死欧美孕妇变态重口另类，因此對新生。

Says Michael Darda, chief economist at brokerage firm MKM Partners in Greenwich, Conn., who bullishly and accurately predicted this year's huge rally in risky assets such as stocks and junk bonds.

他此前準(zhǔn)確預(yù)見到了今年股票和垃圾債券等高風(fēng)險(xiǎn)資產(chǎn)價(jià)格的急劇上漲曰韩一区二区。