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- Abstract : The bimolecular single collision reaction potential energy surface of an isocyanate NCO radical with a ketene CH2CO molecule was investigated by means of B3LYP and QCISD(T) methods. 摘要 : 采用B3LYP和QCISD(T)方法计算得到了NCO自由基与乙烯酮(CH2CO)双分子单碰撞反应势能面。
- Theoretical Studies on Reaction Potential Energy Surface of the Formyl Radical with Nitrogen Dioxide 孙扬,孙延波,黄旭日, 顺-8-三甲基锡烷基-6-辛烯醛分子内环化反应立体选择性的理论研究
- Potential energy is convertible to kinetic energy. 势能可转化为动能。
- The zero of potential energy is arbitrary. 零势能的定义是任意的。
- In the circumstances the potential energy turns to kinetic energy. 在这种情况下,势位能就转化成动能。
- What are the maximum potential energy and the total energy? 最大势能和总能量是多少?
- Equation expresses the principle of minimum potential energy. 方程表示出最小势能原理。
- Why the Potential Energy Belongs to the Matter System? 势能为什么是一个物体系所共有的?
- The air flows down to a shaft and thus loses potential energy. 空气向下进入竖井,因而失去势能。
- We can therefore say that the system has internal potential energy. 因此,我们可以说,该系统有内势能。
- An ab initio potential energy surface of He-LiH complex[J]. 引用该论文 黄武英;凤尔银;季学韩;崔执凤.
- The outline of the molecular reaction dynamics and stereodynamics, together potential energy surface (PES) of reaction systems are given in introduction section. 本论文的引言部分简要介绍了分子反应动力学以及立体动态学的发展和研究现状,同时介绍了势能面的知识。
- For the reason that potential energy curve can not be overlapped the enantiotropy reaction of fulgides in the ground state was infeasible and fulgides were thermostable. 在第一单重激发态 ,有利于发生开环反应 ;
- In this MCAI course ware, the potential energy surface of a bimolecular reaction system that is composed of three atoms has been described figuratively. 在此课件中,一个由三原子组成的双分子反应体系的位能面被形象地表达出来。
- At the level of CCSD(T)//B3LYP adding the high class calculation-G3//B3LYP and G3//MP2, the potential energy surfaces (PES) of the HCO/HOC+C2H2 reaction are investigated detailed. 2.在CCSD(T)//B3LYP水平上,结合更高精度的G3//B3LYP和G3//MP2计算,详细地研究了乙炔与HCO/HOC自由基的反应势能面。
- We seem to be considering chemical bonding solely in terms of potential energy. 我们似乎只用势能来考虑化学成键。
- It is the distance between atoms corresponding to zero potential energy. 这就是相应于势能为零时的原子间距。
- Kinetic energy and theorem of kinetic energy; law of potential energy. 动能和动能定理;势能定理。
- Electric potential is the potential energy of electrons at a certain point. 电势表示的是电子在某点的势能。
- Structures and potential energy functions of PdH and PdH2 molecule[J]. 引用该论文 倪羽;蒋刚;毛华平;朱正和;王红艳.