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Simultaneity, the adsorption energies of single Si adatom on the H-terminated Si (100) surfaces are specially mapped out in this paper, from which the favorite binding sites and possible diffusion pathways have been achieved. The variety of the diffusion anisotropy with the coverage transforming is obtained. The energy barriers of the adatom diffusion are found to be higher than that on the clean surface, because the H atoms saturate the dangling bonds of the surface Si atoms.

同时，本文研究了附加硅原子在理想H-terminated Si(100)表面的沉积扩散行为，计算得到了一系列沉积点和可能的扩散路径；讨论分析了扩散行为的各向异性以及氢覆盖率对各向异性影响的规律，并且发现附加硅原子在H-terminated Si(100)表面上的扩散势垒比在清洁Si(100)表面上的高，我们认为这主要是因为氢原子饱和了表面上硅原子的悬挂键，提高了扩散势垒。

From the results of IR and XPS spectrocopy. The cationic sol components H〓SiO〓 and 〓 of the solution trend to adsorp on the surface of electronegative aegirine because of electrostatic acctraction each other, and interrupted the collector's reaction with Fe〓 on the surface. Hence the flotation of aegirine was decreased, on the other hand, there is electrostatic repulsion between the surface of hematite and the cationic sol H〓SiO〓.〓, Which has advantage to dispersion of hematite particles, therefore, the hematite flotation is achieved sucessfully with anionic collector.

根据红外光谱和XPS测试结果可知，在弱酸性介质中，活性硅酸胶体抑制剂中荷正电的胶团H〓SiO〓及〓由于电性吸引而选择性地覆盖在荷负电的钠辉石表面，从而阻碍了阴离子捕收剂与表面Fe〓的配位作用，导致钠辉石的浮游被抑制；而赤铁矿表面由于荷正电，与矿浆中的H〓SiO〓、〓等硅酸胶团存在着电性排斥作用，有利于赤铁矿颗粒的稳定分散，所以赤铁矿能够被脂肪酸捕收剂吸附而选择性上浮。

The present invention relates to sulphonyloxazolamines of general formula, wherein R, R represent independently from each other H, A,-(CH2)n-Ar or alkenyl with 2-6 C atoms, R and R together also represent a mononuclear saturated heterocycle with 1-2 N, O and/or S atoms, Z is H, A, CF3, NO2, Hal, OH, OA, NH2, NHA or NA2, A represents alkyl with 1-6 C atoms, Ar is Z-monosubstituted or Z-disubstituted phenyl, halogen is F, Cl, Br or I, n is 1 or 2 or the physiologically acceptable salts or solvates thereof.

本发明涉及式磺酰基∴唑胺或其生理上可接受的盐或溶剂化物，其中R 1 ，R 2 每一个相互独立为H、A、－(CH 2 )n－Ar或具有2到6个C原子的链烯基，R 1 和R 2 也一起为具有1到2个N、O和/或S原子的单核饱和杂环，Z为H、A、CF 3 、NO 2 、卤素、OH、OA、NH 2 。NHA或NA 2 ，A为具有1到6个C原子的烷基，Ar为被Z取代的或Z二－取代的苯基，卤素为F、Cl、Br或I，n为1或2。

Sex of test of rabbit of 24 become known shuts material and method cent of model of block of pan sex small intestine is 3 groups, every groups 8: agroup (group of the 1~1.5 h) that be short of blood, b (the 2~2.5 h) that be short of blood and c group (the 5~6h) that be short of blood, contrast expression of mri of analysis of change of pathology of alvine wall organization.

材料和方法24只大白兔实验性闭袢性小肠梗阻模型分为3组，每组8只：a组(缺血1~1.5 h)、b组(缺血2~2.5 h)和c组(缺血5~6h)，对照肠壁组织病理改变分析mri表现。

Grew on the normal temperature, it was shown that the deposits of calcium antimonate being the indicator for Ca(superscript 2+) localization mainly concentrated within the vacuoles and intercellular spaces and there was also some Ca(superscript 2+) deposits in cell walls. But when Garyota urens L. was treated by the temperature of 2℃ for 48 h, the level of Ca(superscript 2+) increased in cytoplasm and plasma membrane, but decreased in vacuoles and intercellular spaces considerably. At the same time, the ultrastructure of chloroplasts suffered from chilling: the membrane of chloroplasts had been damaged, the layer of thylakoids was exiguous and unclear, the photosynthetic rate decreased evidently. And when Garyota urens L. was treated by the temperature of 2℃ for 120 h, the deposits of Ca(superscript 2+) mainly concentrated within the cytoplasm, nucleus and plasma membrane and there was also some Ca(superscript 2+) deposits in vacuoles, and the ultrastructure of some cells was simultaneously damaged severely: Chloroplasts structure, vacuole membrane and nuclear membrane had been damaged fully, the structure within the cell had become unclear, and the cell only have respiration.

研究结果表明，未经低温处理的董棕幼苗叶肉细胞，焦锑酸钙沉淀颗粒大量出现在液泡和细胞间隙中，细胞壁中也可见少量沉淀，而细胞基质中则看不到焦锑酸钙沉淀；经2℃ 48 h低温处理后，细胞基质和细胞膜上焦锑酸钙沉淀增加，而液泡和细胞间隙中的焦锑酸钙沉淀则显著减少，并且超微结构已初步显示出寒害的特徵，叶绿体外膜部分破损，类囊体片层稀疏且排列不规则，光合速率明显下降等；经2℃ 120 h低温处理后，细胞间隙内的焦锑酸钙沉淀极少，有的也紧贴在细胞外壁上，而细胞基质和细胞膜上则分布有非常多的焦锑酸钙沉淀，在核基质和液泡中也可见到少量的焦锑酸钙沉淀，并且超微结构遭到了显著破坏，叶绿体结构完全被破坏，核膜与液泡膜严重破损，内部结构模糊，细胞只表现为呼吸作用，不进行光合作用。

Through computer simulation of azeotropy rectification dehydration tower with benzene as entrainer, the optimal technical parameters were obtained as follows:①the output quantity of top tower was 69 kg／h, return benzene phasor as 58 kg／h and reflux ratio as 3, alcohol concentration in charge the higher the better, however, its maximum value influenced by water content at azeotropy point;②sensitivity analysis results indicated that the sensitivity of output quantity of top tower was the highest, alcohol concentration in charge the second and return benzene phasor and reflux ratio the lowest.

对以苯作为夹带剂的共沸精馏脱水塔进行了计算机模拟，得到了最佳工艺参数：①塔顶采出量为69 kg／h，返回苯相量为58 kg／h，回流比为3，进料乙醇浓度越高越好，但其最大值受共沸点水含量的影响。②敏感性分析的结果为塔顶采出量的灵敏度最大，进料乙醇浓度次之，而返回苯相量和回流比较小。

In Chapter 6, we show that H(G_1)= H(G_2)= x~2(x + 1)~2H_3(G_1 - H_3(G_2), H_2(G_1)- H_2(G_2)=(x~2 + x - 1)~2H_3(G_1 - H_3(G_2) and H_(23)(G_1)-H_(23)(G_2)= 2(x~2+x -1) H_3(G_1—H_3(G_2) for arbitrary catacondensed benzenoid graphs G_1 and G_2 with equal number of hexagons.

在第六章中我们证明了：对于任意的有同样多六角形的cata-型苯系统G_1和G_2，有H(G_1)-H(G_2)=x~2(x+1)~2H_3(G_1-H_3(G_2)，H_2(G_1)-H_2(G_2)=(x~2+x-1)~2H_3(G_1-H_3(G_2)和H_(23)(G_1)-H_(23)(G_2)=2(x~2+x-1)H_3(G_1-H_3(G_2)。

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。

Direct competitions of intramolecular C - H insertions into benzylic C - H and 4-nitroor 4-methoxy substituted benzylic C - H of methyl 2-diazo-3-oxo-6-(4-substituted phenyl)-4-(2-phenylethyl)hexanoate 44a and 44b catalyzed by Rh-mediated carbenoid were alsoinvestigated, and the relative reactivities obtained by compound 44a or 44b were comparableto those obtained by indirect method.

此外，还研究了Rh催化分解下，对位硝基取代或甲氧基取代的4-(2-苯基乙基)-6-(4-取代苯基)-2-重氮基-3-氧代己酸甲酯44a、44b苯甲位C-H插入反应的相对速率，与化合物47a和47f得到的结果比较，数据平行。

Methylpyridine-coordinated ruthenium benzylidene complex 62 shows thehighest catalytic activity. TOF=960 h~(-1) is achieved during RCM reaction of 50, TOF=4 h~(-1)is obtained during the CM reaction of acrylonitrile with 1-decene.

其中，2-甲基吡啶配位的钌卡宾配合物62的催化活性最高，在催化烯烃50闭环交互置换反应时TOF可达960 h~(-1)；催化丙烯腈与1-癸烯交叉交互置换反应时TOF达到4 h~(-1)。

For a big chunk of credit-card losses; the number of filings (and thus charge-off rates) would be rising again, whether

年美国个人破产法的一个改动使得破产登记急速下降，而后引起了信用卡大规模的亏损。

Eph. 4:23 And that you be renewed in the spirit of your mind

弗四23 而在你们心思的灵里得以更新