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Based on this model, the structures, dipole moments and the nuclear magnetic resonance parameters were calculated for a series of functionalized nanotubes, including nitrene and carbene modification, as well as 1,2- and 1,4-fluorination.

本文采用C80H20模型来表示(10,0)碳纳米管,基于此模型计算了一系列氮烯、卡宾和氟化的单壁纳米管的结构、偶极矩,以及核磁共振参数。

The results indicated that the high level density functional theory calculations can be used to predict the 13C chemical shifts of the modified nanotubes. The calculated results also provided the characteristic chemical shifts values of nitrene (superscript -), carbene (superscript -) and 1,2- and 1, 4-fluorinated nanotubes, which would be helpful for experimental spectrogram assignments. Combined with NMR experiments, these predicted characteristic chemical shifts can be further used to monitor the addition mechanism and the extent of surface modifications on nanotubes.

研究表明高精度的密度泛函理论计算能够用来预测纳米管的13C化学位移,理论研究的结果揭示了氮烯、卡宾以及1,2和1,4氟化的单壁纳米管的若干13C信号特征化学位移值,为实验NMR谱图的归属提供了一定的依据,并且可通过与实验相结合来监测表面官能化碳纳米管加成反应是否发生以及确认其加成方式。

Phosphoenolpyruvate carboxylase is the enzyme that catalyzes the carbon fixation in the C4 pathway.

磷酸烯醇丙酮酸羧化酶 Phosphoenolpyruvate carboxylase,PEP carboxylase)在C-4 途径催化碳的固定。

They can also be used for such materials as following:making planes and spacecrafts,screening high-speed neutron reactors,a superconductor in electrical appliance industry,The vanadium compound can be used as a caterlyzer in sulphuric acid industry,a mixture of ethylene and propylene in symthetic rubber and a desulfurizer in oil-refinery ,an oxidizer in making nylon,pesticide,polyvinyl chloride,a non-propylene decarbonizer in chemical fertilizer industry,amilioration of A.D.A.non poisonkous desulpurtion.

我公司生产的五氧化二钒99.5级,99级,98级以及偏钒酸铵,用途广泛,它可制取金属钒和钒合金,用于钢铁冶炼\机械,飞机以及宇宙飞船制造等行业,快中子反应堆的屏蔽材料和电子工业的超导材料,钒化物应用于硫酸工业催化剂,合成橡胶的乙烯和丙烯交联,石油精炼中的脱硫,尼龙,农药,塑料聚氯乙烯制造的氧化,化肥工业的笨非尔无毒脱碳,改良A,D,A法无毒脱硫,钒化物还因其色泽艳丽而作为颜料应用到玻璃,陶瓷,医药等行业,钒酸盐也是印染业良好的媒染剂。

Furthermore, we also studied the coupling reaction of alkenes with alkynes initiated by carbopalladation catalyzed by divalent palladium.

另外我们还对炔烃碳钯化启动的烯炔偶联反应进行了初步的探索。

"Olefin Any unsaturated hydrocarbon containing one or more pairs of carbon atoms linked by a double Bond."

烯烃:含有一对或多对由双键连接的碳原子的一类不饱和烃。

"Olefin Any unsaturated hydro carbon containing one or more pairs of carbon atoms linked by a double bond."

烯烃:含有一对或多对由双键连接的碳原子的一类不饱和烃。

This paper studied the synthesis and models about the etherification reaction from isoamylene to the tert-amyl methyl ether synthesis.

分析了异戊烯醚化生成甲基叔戊基醚的反应机理及相关的反应动力学模型,以甲醇和乙烯裂解碳五为原料进行醚化反应,分别求得R-E模型、L-H模型的动力学参数。

Heaney and his colleagues tested a wide variety of chemotherapy drugs – those that produce reactive oxygen and those that work in other ways – on cancer cells in the laboratory, that were pretreated with dehydroascorbic acid, the form that ascorbic acid takes to enter cells.

希尼和他的同事测试了各种各样的化疗药物-那些能产生活性氧和那些工作在其他方面-对癌细胞的实验室,这是与氧化预处理碳六烯酸的形式,抗坏血酸才能进入细胞。

A novel carbonyl transposition led by anilines'nucleophilic addition to methyl 2-keto α-D-glucopyranoside was discovered. And the mechanism of the reaction concerned to an enol rearrangment was provided through tracing the change of 〓H-NMR and 〓C-NMR of a hemiacetal intermediate which was obtained in the reaction of o-phenylene diamine with 2-keto glycoside. Both the intermediate and the converting product were identified by 〓H-NMR,〓C-NMR,〓H-〓H COSY and HMQC.

一、发现了2-位氧化α-甲基D-葡萄糖苷的芳胺亲核加成引起羰基转位的新方法,利用核磁共振氢谱及碳谱对邻苯二胺与2-位氧化α-甲基D-葡萄糖苷加成生成的稳定中间体半缩酮化合物在氘代丙酮中的变化进行跟踪,结合对转化产物的氢氢相关谱和HMQC结构确证,提出了该反应中2-位羰基通过烯醇化互变而转至3-位的机理并得到了验证。

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