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Density Functional Theory in connection with accurate LCAO basis sets and norm-conserving pseudopotentials were used to study two issues which are (1) The Selective Functionalization of Single-Walled Carbon Nanotubes with Diazonium Radical and (2) The Molecular Dynamic Simulated IR Spectrum of Adsorbed C3H3 and I on the Ag(111) Surface.For the first, we investigated (1) NO2C6H4 direct addition (2) NO2C6H4N2 dissociative addition reaction on semiconductor (8,0), metallic (9,0)and(5,5) carbon nanotubes.

第一部分模拟的结果显示,在半导体性质(8,0)和金属性质(9,0)、(5,5)奈米碳管上,硝基苯自由基(NO2C6H4)的直接加成反应於不同导电性质的奈米碳管间不具有选择性,而硝基苯重氮化合物自由基(NO2C6H4N2)的解离吸附反应会选择性的与金属性质奈米碳管发生反应,因为在金属性质的系统中,奈米碳管於过渡态时会藉由电荷的转移来稳定过渡态的结构,进而帮助反应更快的进行。

Palladium nanoparticles were crystallized on 4-aminobenzoic acid monolayer-grafted multi-walled carbon nanotubes by diazotization.

本工作中在水溶液体系中以芳烃重氮盐修饰的多壁碳纳米管为载体构筑了钯纳米粒子碳纳米管复合结构。

. Four recent papers provide comparative Information on the behaviour of torsional and distortional thin-walled and cold-formed Sections.

四张最近纸提供可贵的信息在薄壁和冷被形成的部分扭转力和distortional 行为。

Local and distortional buckling are important buckling modes for cold-formed thin-walled open sections.

中文摘要:局部屈曲和畸变屈曲是冷弯薄壁开口截面重要的屈曲模式。

Stainless steel lined composite steel pipe is a common carbon steel pipe for the substrate to thin-walled stainless steel for the lining, the use of double-helical rolling temperature composite technology, so that the base pipe and liner pipe closely integrated, composite pipe has the best condition.

内衬不锈钢复合钢管是以普通碳钢管为基材,以薄壁不锈钢为内衬,利用双螺旋温滚压复合技术,使基管与衬管紧密结合,复合钢管呈现最佳状态。

Not familiar with the life of rich American, I asked him why he wanted another house since he already had a nice one in New York upon visiting his glass walled apartment in downtown Manhattan.

也许当时对富有的美国人的生活还不是很了解,坐在他们纽约曼哈顿中心区的玻璃幕墙的公寓会客区里,我问他的第一个问题就是,你们在纽约有这样好的房子,为什么还想要另一个?

The establishment of elastic collision mechanism between hydrogen molecules and carbon nanotube walls and arithmetic design;? molecular dynamics simulation details of hydrogen physisorption in single walled carbon nanotube arrays and program design;? the acquirement and analysis of computer simulation results, where the influences of tube diameter, distance between tubes, temperature and pressure on hydrogen physisorption in SWCNTA are investigated in detail.

主要内容为:①巨正则系综分子动力学模拟元胞的创建;②氢分子与碳纳米管壁弹性碰撞机制的建立及算法设计;③碳纳米管阵列物理吸附储氢的分子动力学模拟细节及程序设计;④计算机模拟研究结果的获取与分析,重点研究了管径、管间距、温度和压强对单壁碳纳米管阵列物理吸附储氢的影响。

On the basis of these studies, the process of the electroforming complex thin-walled parts has been researched and qualified parts are got.

最后,在上述研究基础上对薄壁零件的电铸加工工艺进行了大量试验并制作出了合格的薄壁零件。

Electromagnetically induced acoustic emission technique is a recently developed non-destructive test technique, which can be used for damage assessment of thin walled conducting structures.

电磁声发射技术是近几年发展起来的一种无损检测新技术,可以用来对导电薄板进行损伤评价。

"One of the elongate d, thick-walled cells that give strength and support to plant tissue."

能够增加植物细胞组织的强度或起支持作用的长的厚壁细胞中的一种。

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So it was last week in Selma , alabama.

上星期在亚拉巴马州塞尔马市发生的事件也是这样一个转折点。

The group also spearheads various social programs in China.

该组织还带头参与中国的各种社会活动。

He points out huge swathes of neighbouring land that once glimmered with rice paddies.

而最近,这片土地上的水稻被挖掘干净,取而代之的是一片养鱼场。