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Using density functional theory, the reaction mechanism of propene hydrogenation catalyzed by metal Ir4 cluster were explored in detail theoretically.

用密度泛函理论对金属Ir4 cluster催化丙烯Propene加氢反应的反应机理进行了理论研究。

Methyl 6-acylnaphthalene from 2-methylnaphthalene was synthesized via acylation using acetic anhydride and propionyl chloride as the acylating agents with catalyst aluminum trichloride in homogeneous liquid phase system.

为制备重要的化合物2-甲基6-酰基萘,提高酰化产物的收率和纯度,以2-甲基萘为原料,分别研究了乙酸酐和丙酰氯为酰化剂时的酰化反应,对酰化反应的产物进行了GC、FT-IR和GC-MS表征;对酰化反应的影响因素进行了研究。

With NMR and DFT methods, the Michael additions of alkynyl Fischer carbene complex with a series of substituted pyrazoles as nucleophiles were also studied. All reactions follow the same three-step pathway mechanism described above. Substituents on 3-, 4- and 5- positions of the pyrazolyl ring affect the reaction in the steric and electronic manners, even to change the rate-determining step.

一系列取代吡唑与1-炔基Fischer卡宾化合物的Michael加成反应都遵循前面提出的三步机理,其中吡唑的3-, 4-, 5-位分别从电子效应和立体效应方面不同程度地影响着反应的进行,甚至改变反应的决速步骤。

"Reinitiation of EGFR TKI can be an option after failure of chemotherapy for those who responded to prior treatment with an EGFR TKI," he concluded."This strategy will keep some patients from the toxicities of chemotherapy, and help maintain the quality of life for several months."

&对于曾对 EGFR TKI 治疗发生反应的患者,在化疗失败后可选择重新启动 EGFR TKI 治疗,&他总结道,&这种策略可避免一些患者发生化疗毒性反应,并有助于在数月内维持其生活质量。&

In the catalytic tranformation of n-butane, Pd modified silicoaluminate molecular sieves were tested for n-butane's isomerization and dehydroismerization.

考察了硅铝分子筛为基质的双功能催化剂催化丁烷异构化的反应性能及催化丁烷一步异构脱氢反应的可能性,发现丁烷到异丁烯的一步转化无法在这一反应体系十有效实现。

In the catalytic tranformation of n-butane, Pd modified silicoaluminate molecular sieves were tested for n-butane's isomerization and dehydroismerization.

考察了硅铝分子筛为基质的双功能催化剂催化丁烷异构化的反应性能及催化丁烷一步异构脱氢反应的可能性,发现丁烷到异丁烯的一步转化无法在这一反应体系中有效实现。

Some influences of steric effect, reaction temperature and solvent effects were discussed.

并简单讨论了立体效应,反应温度和溶剂效应对此还原反应的影响。

OBJECTIVE To investigate the degradation kinetics of sodium formaldehyde sulfoxylate.

中文摘要:目的研究药用抗氧剂甲醛合次硫酸氢钠在水溶液中氧化反应的反应速率常数。

On the basis of its elementary principle,we suggested a kinetic equation to describe the reaction procedure,Wamp=[Ntarg×(1+P)n1+0.5×Cenz×U×P×Ceactive×-Ntarg×(1+n×P)]×Cu×M.

我们根据它的基本原理提出了能够描述其反应过程的动力学方程:Wamp=[Ntarg×(1+P)n1+0.5×Cenz×U×P×Ceactiv×(n-n1)-Ntarg×(1+n×P)]×Cu×M,准确地描述了PCR反应的产物积累规律,建立了PCR反应的动力学数学模型。

The diffirences about the promotion mechanism of methanol to PCBs decomposition are found between SCWO and SCWT. The dechlorination reaction was accelerated due to the decrease of HCl which produced in the dechlorination process by the neutralisation of HCl with alkali catalyst.

发现在超临界水氧化与超临界水裂解条件下CH3OH对PCBs降解反应的促进机制有所不同,碱催化剂通过中和反应过程中产生的HCl生成NaCl沉淀导致体系中Cl的含量降低,从而促进脱氯反应的进行。

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