查询词典 potential energy

In Chapter 2, introduces elementary theory and quantum chemistry computation methods, which mainly contained the reaction surface, crossing rules of the potential energy surfaces, tradition transition state theory, spin-orbit coupling mechanism and rules for intersystem crossing.

第二章简要地介绍了量子化学计算方法，主要包括量子化学基本理论和反应势能面、势能面相交与不相交规则、过渡态理论和系间窜越的选择规则。

In Chapter 2, simply introduced elementary theory, mainly contained the reaction surface, crossing rules of the potential energy surfaces, tradition transition state theory, spin-orbit coupling mechanismand rules for intersystem crossing.

第二章简要介绍了基本理论，主要包括反应势能面、势能面相与不相交规则、过渡态理论、自旋-轨道偶合机制和系间窜越的选择规则。

In chapter 5, according to the equation of potential energy, the redundancy formula is formulated, and the elastic and geometric redundancy is deduced further. Finally, the overall flexibility and kinematically property is evaluated through redundancy for the structures.

第五章，根据势能方程推导出结构冗余度，导出弹性冗余度和几何冗余度，通过冗余度分析研究了结构体系特征和整体柔性。

Be what kind of psychology potential energy is propping up them to wade continuously at lotic dangerous shoal?

又是什么样的心理势能在持续支撑他们跋涉于激流险滩？

The correlation between liquid fragility of alloys and micro/maro -properties in liquids or their corresponding solids, as well as the correlation between liquid fragility and potential energy landscape, is of great significance for understanding the nature of liquid fragility and the relationship between thermodynamics and dynamics,.

研究金属液体的脆性性质与液体中微观或固体中宏观性质的联系以及研究其液体的脆性与能量图谱的联系，对于揭示液体脆性的本质、热力学与动力学性质相关性问题以及能量图谱的量化工作具有深远的意义。

Oil shale is an important potential energy,which has huge reserves.If converting it into calorific capacity,the reserves would be ranked the second in fossil fuel in China,just following coal.If converting it into shale oil,the reserves of oil shale in the world is about 475 billion tons,almost 5 to 4 times of minable reserves of native oil in the world.

油页岩是一种重要的潜在能源，储量巨大，若折算成发热量，它的储量在化石燃料中仅次于煤而列第二位；若折算成页岩油，世界上油页岩储量约为4750亿t，相当于目前世界天然原油探明可采储量的5.4倍，因此油页岩的勘探与开发已成为世界性新能源开发的课题。

It was demonstrated thermodynamically that the initial products with respect to the uranium-hydrogen system included UH, UH2, UH3, U2H2 and U2H4. The potential energy surface analyzing results confirmed that the optimized structures and suggested, theoretically, that the main initial products were UO or linear U02 in the uranium-oxygen system, and uranium monocarbide or uranium oxycarbides in the uranium-carbon monoxide system, depending on the different interaction mode.

计算结果从热力学上证明了铀与H_2的初始反应产物可能有UH、UH_2、UH_3、U_2H_2和U_2H_4 等；随着铀与O_2相互作用的方式的不同，铀氧化的初始产物或者是UO分子，或者是直线型UO_2分子；CO在铀上的吸附属于解离吸附，并以CO的碳端与铀原子相互作用最有利，初始相互作用产物主要有碳化物和碳氧化物。

In this paper, high-level quantum chemistry calculation methods are used to theoretically investigate basic configuration, conformers, torsion potential energy surface and internal rotation transition state of oxalic acid and oxalyl halides.

第三章采用量子化学的MP2、B3LYP、HF计算方法在6-311++G~水平上，对草酸可能存在的十三种构型进行完全放开的全几何优化及振动频率分析，得到八种稳定构型和五种内转动过渡态构型。

When benzene and propene adsorbed in zeolite at the same time, there are competitive adsorption, therefore the potential energy distribution could be changed significantly.

分子筛上存在着苯和丙烯的竞争吸附，并且吸附分子之间存在相互作用使两者与分子筛之间的相互作用能分布改变。

In this paper, the bending problem of unbonded contact of beams on tensionless winkler foundations is investigated by sine series and principle of minimum potential energy.

利用正弦级数和最小势能原理，解答了无拉力Winkler地基上梁的脱离问题。

Neither the killing of Mr Zarqawi nor any breakthrough on the political front will stop the insurgency and the fratricidal murders in their tracks.

在对危险的南部地区访问时，他斥责什叶派民兵领导人对中央集权的挑衅行为。

In fact,I've got him on the satellite mobile right now.

实际上 我们已接通卫星可视电话了