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From the PESes, a total of fourteen glycine conformers, including a new conformer, were found.

从势能面上,取得了总共14个苷氨酸构象异构体,其中包括取得一个新的苷氨酸构象异构体。

Then, have explored the conformer interconversion among all glycine conformers, and discussed some arguments about glycine conformers' symmetries.

研究所有的苷氨酸构象异构体之间相互转换,并且探讨了苷氨酸构象异构体的对称性问题。

We can write portable parallel programs by means of Cluster-M, then schedule these programs onto dynamically reconfigured heterogeneous system so as to run well.

总之,论文的研究成果丰富了并行处理、异构计算的理论和方法,对于开创自动提取程序异构性这个新领域,以及使异构计算进一步走向实际应用具有重要的指导意义。

The calculated results show that the X3+ cations each has two stable structures: the regular trigon(D3h) and the line with the regular trigon(D3h) being the ground state, while for three neutral X3Cl clusters, Sc3Cl has three stable isomers: the trigon-pyramidal(C3v), bidentate(C2v-1), and C2v-2 structures, Y3Cl and La3Cl each has only two stable isomers: the trigon-pyramidal(C3v) and bidentate(C2v-1) structures.

计算结果表明,三个X3+阳离子有两个稳定异构体:正三角型(D3h)和线型,其中正三角型为基态;对于三个中性的X3Cl团簇,Sc3Cl 有三个稳定的异构体:三角金字塔型(C3v)、双齿型(C2v-1)和 C2v-2型(图 1 e);Y3Cl 和 La3Cl有2个稳定的异构体:三角金字塔型(C3v)和双齿型(C2v-1)。

The molar extinction coefficient, maximum absorption wavelength, reaction rate constants of trans-cis photochemical isomerization, thermal back-isomerization and photochemical back-isomerization and equilibrium constant of photochemical back-isomerization reaction of a novel photochromic liquid crystalline dendrimer G1 of the first generation containing nitroazophenyl groups on its periphery and small molecular azophenyl moiety M1 in solution were described.

张其震*1,盛昕1,李爱香1,王艳2摘要:研究了树外围含12个硝基偶氮苯基元新型一代碳硅烷光致变色液晶树枝状大分子G1和基元小分子M1在溶液中的最大吸收波长、摩尔消光系数、反-顺光化学异构化反应速率常数、热回复异构化反应速率常数、光化学回复异构化反应平衡常数及速率常数。

A rearrangement model for the complex and its isomers of the2+ was proposed, in which there could be two competed steric courses with the trigonal bipyramidal intermediate or intermediates.

利用[Co(3,3-tri)Cl]2+体系配合物及其异构体结构模型提出了一个2+型的配合物及其几何异构体相互转换所遵循的重排机理模型。认为在该类型配合物异构体转化过程中同时存在两个竞争途径,其中间过渡态或中间体分别为三角双锥或四角锥形式。

The synthesis of dimethyl fumarate was studied from maleic anhydride and methanol with phospho molybdic acid as the catalyst and bromate as the isomerization catalyst by one-step in this short paper.

采用固体杂多酸磷钼酸为催化剂,溴酸盐为异构化剂,经顺酐一步合成了富马酸二甲酯,探讨了醇酐比、反应时间、催化剂的量、异构化剂的量以及异构化时间对合成DMF收率的影响,并确立了最佳反应条件。

The combined acids , LHZZS,XDZZS and SLZZS, one of four fractions in montan resins from montan waxes from Liaohu, Xundian and Shulan brown coal respectively, were derived by CH 2N 2 to methyl esters and their chemical constituents and structural characteristic were studied on GC-MS.

结果显示,树脂结合酸均以正构烷酸为主要成份,其分布为C1 2 ~C2 8,高含量的正构烷酸集中在低碳数一端,C2 0 含量最高,其次为C1 6 ,而舒兰结合酸中,正构烷酸占绝对优势,且C1 6 为最高含量的化合物;去氢松香酸在每一个样品中含量较低,其它三环二萜酸,如松脂酸、三达松脂酸等异构体或立体异构体含量也非常低;具有五环三萜骨架的酸性物质,在潦浒、舒兰结合酸中比较丰富,其含量超过寻甸结合酸;在低碳数一端,存在着各种支链烷酸及苯甲酸、苯酚及取代物。

But methods of data assignment on homogeneous disk systems, such as striping, do not adapt to heterogeneous disk systems any more.

如果采用同构系统的数据分配和放置方法如 striping来管理异构系统,并不能针对异构系统中各个磁盘的性能差异来进行数据分配,降低了异构系统的性能。

Monosaccharide Isomerization Simple aldoses and ketoses containing the same number of carbon atoms are isomers of each other; that is, a hexose and a hexulose both have the empirical formula (C6 H1206 )and can be interconverted by isomerization.

单糖异构化含有相同数目碳原子的单醛糖和酮糖互为同分异构体,也就是说一个已醛糖和一个已酮糖都符合经验分子式C6 H1206,并且可通过异构化作用相互转化

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