六取代的

The B3LYP/6-31G calculations on the four complexes show that the largest interaction energy is-13.98 kJmol^(-1) in the complex composed of HMX and hexaazacalix [3]-p-triarene [3]-2-amido-1, 3, 5-triazine. Results show that intermolecular interaction energies of azacalix [6] arenes with substituted groups are stronger than that without substituted groups, and intermolecular interaction energies of azacalix [6] arenes with amido groups are stronger than that with nitryl groups.

研究发现分子间相互作用能最大的复合物是六氮杂杯[3]-对－三芳烃[3]-2-氨基－1，3，5-三嗪与HMX所形成的复合物，最大相互作用能为－13.98 kJmol^(-1)；而且带有取代基的复合物的相互作用能大于没有带取代基的复合物，带有氨基取代基的复合物的相互作用能大于带有硝基取代基的复合物。

It is worthy of noting that different from the pyrolysis of pyrrole and other aroma compounds the products of pyridine pyrolysis is relatively less in number and has low tendency of sooting.

最后第五章研究了取代的六元含氮模型化合物4-甲基吡啶的热解，结合前章吡啶热解反应路径的研究，从产物的分布得出一些普适的定性结论。

This dissertation is mainly focused on the reactivity of methylenecyclopropanes and comprises six parts. 1 The reactions of methylenecyclopropanes with phenylsulfenyl chloride, phenylselenyl chloride and diphenyl diselenide; 2 The coupling reactions of the ring-opening products derivated from methylenecyclopropanes; 3 The palladium-catalyzed ring-enlargement of mono-aryl group substituted methylenecyclopropanes to cyclobutenes. 4 The gold-catalyzed domino ring-opening and ring-closing hydroamination of methylenecyclopropanes with sulfonamides; 5 The Lewis acid-catalyzed reactions of mono-aryl group substituted methylenecyclopropanes with diethyl ketomalonate in the presence of water; 6 The iodobenzene diacetate mediated novel 1,3-dipolar cycloaddition of methylenecyclopropanes, vinylidenecyclopropanes, and methylenecyclobutane with phthalhydrazine.

本论文主要研究了亚甲基环丙烷类化合物的一些化学反应性能，共由以下六部分组成：1、亚甲基环丙烷类化合物与苯硫氯、苯硒氯及二苯基二硒的反应；2、亚甲基环丙烷类化合物开环产物的偶联反应；3、单芳基取代的亚甲基环丙烷类化合物在钯催化剂作用下的扩环反应；4、金化合物催化磺酰胺对亚甲基环丙烷类化合物的串联开环关环氨氢化反应；5、路易斯酸催化亚甲基环丙烷类化合物与丙酮二羧酸二乙酯在有水存在下的反应；6、醋酸碘苯促进的亚甲基环丙烷类化合物、亚乙烯基环丙烷类化合物及亚甲基环丁烷类化合物与邻苯二甲酰肼的新型1，3-偶极环加成反应。

A new functional electroluminescent copolymer is reported in which chromophores and hexa segments alternate along the polymer backbone.

采用Wittig反应合成了一种分子主链由烷氧基取代的1，4二苯乙烯基苯聚对亚苯基亚乙烯基(PPV的三个单元的齐聚物与柔性隔离链段五缩六乙二醇组成的交替型蓝绿色发光共聚物。

Novel phosphazene cyclomatrix network polymers were synthesized via nucleophilic displacement of activated nitro groups of tri (4-nitrophenoxy)tri cyclotriphosphazene and hexa cyclotriphosphazene with the hydroxyls of bisphenol A.

以三对硝基苯氧基三苯氧基环三膦腈和六对硝基苯氧基环三膦腈为主要单体，采用活性硝基亲核取代的方法，合成了一类新的环簇膦腈聚合物。

Novel phosphazene cyclomatrix network polymers were synthesized via nucleophilic displacement of activated nitro groups of tri (4-nitrophenoxy) tri cyclotriphosphazene and hexa (p-nitrophenoxy) cyclotriphosphazene with the hydroxyls of bisphenol A.

以三对硝基苯氧基三苯氧基环三膦腈和六对硝基苯氧基环三膦腈为主要单体，采用活性硝基亲核取代的方法，合成了一类新的环簇膦腈聚合物。

Based on synthesis of six naphthyl substituted urea and thiourea open-chained compounds, the interaction of these compounds as host molecules with several anionic guests in molecular level were studied via absorption, fluorescence and 〓HNMR spectra.

二、在设计合成六种萘取代的脲及硫脲类多足开链化合物的基础上，利用吸收光谱、荧光光谱及〓H NMR波谱手段详细研究了该类化合物作为主体分子与不同种类阴离子客体分子间的相互作用。

This replaces the old E111 form from September 2005 andisavailable frompost offices, online orby phoning 0845 606 2030. Each member of your family must have a seperate EHIC.

取代旧e111形式，从2005年9月，是可从邮局，在线或致电〇八四五六〇六二〇三〇，每个家庭成员必须有一个单独的ehic 。

The equilibrium geometries of squaraines substituted by heteropentacyclic, benzo fuzed heteropentacyclic, heterohexacyclic, benzo fuzed heterohexacyclic, heptacyclic, benzo fuzed heteroheptacyclic and zwitterionic squaraines were obtained with ab initio calculation at HF/6-31G* level and the electronic spectra were examined using CIS/6-31G* method.

用从头算6-31G~*方法优化了多种五元杂环、苯并五元杂环、六元杂环、苯并六元杂环、七元环和苯并七元杂环取代的方酸分子以及方酸两性离子分子的几何结构；用CIS／6-31G~*方法计算了其电子光谱；通过TDHF／6-31G~*方法计算其线性极化率、一阶和二阶超极化率来研究分子结构和非线性光学性质之间的关系，同时用两态模型解释了部分分子的一阶超极化率。

The horizontally opposed six-cylinder comes from the Tribeca and displaces 3.6 liters, making 256 hp and 247 lb-ft of torque in this application.

在横向反对六缸来自特里贝卡和取代三点六升，使256马力和247磅英尺的扭矩在此申请。

In the United States, chronic alcoholism and hepatitis C are the most common ones.

在美国，慢性酒精中毒，肝炎是最常见的。

If you have any questions, you can contact me anytime.

如果有任何问题，你可以随时联系我。