查询词典 energy surface

It showed that diaspore was turned from high energy surface to low energy surface after interacting with collectors.

并解释了在几种常规捕收剂作用下，矿物表面润湿性的变化规律。

The fitted rms error based on the Hamiltonian with 9 parameters was 2.40 cm-1. The dissociation energy and force constant were also determined by the analytical potential energy surface.

结果表明，利用此代数Hamiltonian很好的实现了能级再现，它预测了振动总量子数达到20的全部振动能级，同时我们计算了分子的解离能与力常数。

The purpose of this investigation was to collect as many energy values on the reaction energy surface as possible.

本研究的目的是尽可能地收集处在反应能量面上的这种能量点值。

The results show that rutile TiO_2 surface is the lowest energy surface.

计算结果表明(110)晶面为最低能量面。

Based on the theory of eletrodynamics and other related subjects, an energy model was established for studying the mechanism of projected transfer mode by introducing "Surface Evolver" as a means of FEM analysis, by commutating and presenting the energy (eletromagnetic, gravity and so on) in the droplet transfer system.

摘 要：为研究MIG/MAG焊的射滴过渡机制，引入Surface Evolver软件作为有限元分析手段，根据电动力学和其它相关学科的基础理论，通过对射滴过渡系统中电磁能和重力势能的数学变换和描述，建立了适合于该软件运行条件的射滴过渡能量模型。

The excited-state intramolecular proton transfer tautomerism reaction of 6-methyl-4-hydroxy pyri-midine monomers and dimmers was investigated by the ab initio method with the self-consistent reaction field with Tomas's polarized continuum mode and CIS theories at HF level on the basis of 6-311+G* and 6-31G basis set. By studying the potential energy surface, it was found that the monomer's ground-state proton transfer process together with the excited-state proton transfer process is a molecular system of four energy level, but dimmers were not, which can be used to explain the fact that UV-visible absorption and fluorescence spectra of monomer and dimers all corresponded to quinoid.

采用 ab initio HF理论的组态相关CIS方法和连续溶剂模型PCM，分别在6-311+G*和6-31G水平上研究了6-甲基-4-羟基嘧啶单体及二聚体激发态质子转移的异构化反应；对其反应势能面的研究发现，单体基态和激发态的异构化反应一起可以形成四能级的分子电子体系，而二聚体的却不能，由此解释了单体和二聚体的紫外吸收光谱和荧光发射光谱均对应于酮式构型的原因。

Thepotential energy surface of these reactions were plotted, and the energy barrier of the reaction between THF and secondary oxonium ion was determined to be 182.0.116 kJ/mol.

本文进一步对四氢呋喃阳离子开环聚合反应过程中，氧鎓离子与水反应的机理进行了分析。

Co-firing characteristics of corn stalk and stone coal in different proportion were investigated by thermal gravimetric analysis. The results showed that corn stalk can improve the ignition and combustion of stone coal. The agglomeration experiments on corn stalk were made in a bench-scale bubbling fluidized bed with quartz sand as bed material and stone coal ash as additive. The results indicate that stone coal ash can inhibit agglomeration of bed material particles at temperature of 900℃. Agglomerate of blends was analyzed by means of scanning electron microscopy, energy-dispersive X-ray, and the bed materials were analyzed by means of X-ray fluorescence. Analysis showed that aluminum element and iron element in stone coal ash can react with alkali compounds and eutectics with low melting point, form a covering layer with high melting point on the surface of biomass and quart sand particles, thus inhibit the forming and transfer of low melting compounds.

以玉米秸秆与石煤按不同比例组成的混合物为研究对象，在TG-DTG热分析仪上进行了燃烧特性分析，结果表明玉米秸秆有利于石煤的着火和稳定燃烧，对石煤有一定的助燃作用；在小型鼓泡流化床实验装置上，以石英砂为床料、石煤灰为添加剂，进行了玉米秸秆成型燃料流化床燃烧的床料黏结实验，结果表明：石煤灰能够在生物质流态化燃烧过程中有效地抑制流化床床料黏结现象的发生；通过对实验中形成的结团进行扫描电子显微镜X射线能谱(scanning electron microscopy/Energy-dispersive X-ray- SEM/EDX)，对床料进行X射线荧光光谱(X-ray fluorescence，XRF)分析，结果表明石煤灰中的Al和Fe能够与生物质灰中的碱金属化合物以及低熔点共熔物发生化学反应生成高熔点物质，并且覆盖在生物质碳颗粒与石英砂颗粒表面形成隔绝层，从而阻止低熔点物质的生成与迁移。

However, MM can also provide important dynamic parameters, such as energy barriers between different conformers or steepness of a potential energy surface around a local minimum.

但是 MM 也能提供重要的动力学数据，例如不同构象之间的势垒或者势能面最小点附近的坡度。

In an ultrahigh vacuum chamber with a base pressure of 1 x 10-10 torr, we have used Low Energy Electron Diffraction and Temperature Programmed Auger to study the effect of adsorbates on the surface structure of Nb(111). That is, in O/Nb(111) systems, we observe the structure of the surface with LEED to see if any surface reconstruction occurs after annealing and analyze the structure.

在超高真空(约1 x 10-10 torr)的环境下，我们利用了低能量电子绕射(Low Energy Electron Diffraction， LEED)、可程式控温欧杰能谱(Temperature Programmed Auger， TPA)，来研究氧覆盖层对於铌基板的影响，亦即PO/Nb(111)表面系统中，再利用LEED观察是否有任何表面重构的现象发生并详细分析此结构。

For a big chunk of credit-card losses; the number of filings (and thus charge-off rates) would be rising again, whether

年美国个人破产法的一个改动使得破产登记急速下降，而后引起了信用卡大规模的亏损。

Eph. 4:23 And that you be renewed in the spirit of your mind

弗四23 而在你们心思的灵里得以更新