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- Rl is about 3.11 kJ/mol lower than R2 DIt shows Rl is the major reaction channels. R1势垒比R2势垒低3.;11kJ/mol。 表明R1是主反应通道。
- The fusion probabilities P(subscript CN) of some reaction channels based on the mechanism of cold fusion are also calculated. 通过求解主方程,对一些基于冷熔合机制的反应道的全熔合几率也进行了讨论。
- Keywords Chlorine trifluoride;Water;DFT;Reaction channel; 密度泛函理论;反应通道;
- Four possible Diels-Alder reaction channels between o-quinone methides and propylene have been studied by means of Density Functional Theory(DFT) at the(U)B3LYP/6-31G* theory level. 采用量子化学密度泛函理论(DFT)在(U)B3LYP/6-31G*水平上对邻亚甲基苯醌与丙烯的Diels-Alder反应进行了理论研究;利用能量梯度法对反应途径上各驻点的构型进行了全优化;对过渡态进行了振动分析确认.
- Six possible Diels Alder reaction channels of 1,3 cyclohexa diene with propionitrile leading to two types of exo and endo products have been studied by using ab initio method at 3 21G level. 采用从头算方法在3-21G基组上,对1,3环己二烯与丙腈diels-Alder反应所有可能的反应通道进行了研究。
- Could I ask for your reaction to this policy? 我能问一下您对这个政策的反应吗?
- A reactor is a container for chemical reaction. 反应器是进行化学反应的容器。
- I'm displeased at your reaction. 我对你的反应很不满意。
- The forces of reaction made reform difficult. 反动势力给改革造成了困难。
- His reaction on this matter is unexpected. 没料到,他对这件事的反应是这样的。
- A sharp reaction; a repercussion. 强烈反应后果,影响
- Their reaction was one of qualified praise. 他们的反应是一种有保留的称赞。
- His initial reaction was one of shock. 他最初的反应是震惊。
- The reaction of the audience was instantaneous. 观众即刻有了反应。
- What was his reaction to the plan? 他对这个计划有什么反应?
- The medicine produced a violent reaction. 这药物引起了剧烈的反应。
- My reaction will be to partake in the speech competition. 我的看法倒是要参加这次演说比赛。
- What was his reaction to the news? 他对这消息的反应如何?
- His reaction of swiftness surprised us. 他快速的反应能力让我们吃了一惊。
- I had a bad reaction after my typhoid injection. 我注射了伤寒针剂后产生了不良反应。