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In addition, some modifications on several computational methods are also presented. Using LMTO method the electronic structure of several systems are studied, and some results are obtained. They are: The ideal Nb (100) surface has three surface states, the multi-layer relaxed surface has two surface states. The surface energy of the ideal surface is higher than that of the relaxed surface, that means that the multi-layer relaxed surface is more stable than the former one, which supports the LEED results. The mono-layer relaxed Ag (111) surface is the most stable one among several" stable surface models"presented by several researchers. The surface energy of Ag (111) surface is higher than that of surface Ag (001), which supports some experimental results such as different reaction rate at different surface orientations for the same material. The surafce states of Si (111) surface not only locate near the Fermi level, but also in the valence band, which agrees well with Cohen's conclusion. Si (111)-H is an effective model for analysing the surface states and H adsorbed on the back surface is a good method for improving the convincingness of the results obtained on thinner slab models. The surface stability depends on three different kinds of MoSi〓(001) surfaces, the surface with mono-layer Si is the most stable one, and the surface with Mo at the first layer is the most unstable one among them. These are consistant with the Kemoda's experimental results. The valence bands of clean or K adsorbed CdTe (111) surface agrees well with the synchrotron radiation studies. The surface of CdTe (111) consists of four kinds of surface models which show different surface electronic structures and different surface structure stabilities. The conclusion agrees well with Wu's experimental work. The different absorbed alkali metals on the CdTe (111) surface give different adsorption characteristics which have relations not only with the valence electrons, but also with the core ones of the alkali metals. The electonic structures of Si-C alloys are different from that of Si-Ge alloys, and the energy band gaps of Si-C alloys do not increase linearly with Carbon concentration, our conclusion supports Alexander's results, but conflicts with Soref's one.

现分述如下: LMTO方法及其应用方面:1)通过对Nb(100)表面电子态分析发现清洁理想表面有三个表面态,多层弛豫表面有两个表面态;表面能大小说明多层弛豫表面更稳定,支持了LEED结果。2)通过对采用不同方法获得的几种不同Ag(111)表面稳定结构的表面能计算分析,给出了单层弛豫表面为Ag(111)表面的最稳定结构;从Ag(111)单层弛豫表面和Ag(001)表面的表面能比较,发现了Ag(001)表面表面能要比Ag(111)小的,表明了同种物质不同表面取向将表现出不同物理、化学性质,这是与实验中得出的结论是吻合的,3)通过对Si(111)表面态分析,不仅发现了Si(111)表面不仅具有居于费米能级附近的悬挂键所对应的表面态,而且还有很多表面态位于价带能量范围内,与Cohen等结果一致,H饱和slab模型背表面相当于增加了slab层的厚度,是一有效的变相增加slab层厚的方法,弛豫表面较清洁理想表面价带谱们低能端的少许移动,预示着总能降低,说明弛豫表面较清洁理想表面稳定。4)MoSi〓具有三种表面,从费米能级上态密度值大小得到单层Si表面最稳定,Mo原子为表层原子的表面最不稳定,双层Si原子表面居中的结论,这与Kemoda等人实验结果是一致的。5)通过对CdTe(111)表面表面电子态、表面结构稳定性及表面H、碱金属吸附的电子结构系列研究,不仅得出了CdTe(111)清洁及碱金属K吸附价带谱与同步辐射光电子谱相吻合的结果,而且发现了CdTe(111)表面具有四类不同原子近邻特征,表现出四类不同的表面结构及电子结构特征:不同表面态分布、不同的表面结构稳定性(表层原子与次层原子成三键有一悬挂键的表面要比表层原子与次层原子成一键有三悬挂键稳定(与Wu等人实验结果一致))、不同的H吸附特性。

In the single crystal of C60 with a FCC structure,positron mainly appears outside the C60 molecule.The main annihilation space is the interspace between molecules.The calculated positron bulk lifetime in C60 is 352ps, which agrees with experiment value of 356ps in literature.In carbon nanotube bundles with different dimeters,as the diameter of carbon nanotubes increases,the main space where positron appears changes from the interspace of carbon tubes to the space inside carbon tubes,the radio between positron annihilation with valence eletrons and core eletrons becomes larger,the positron bulk lifetime in carbon nanotube increase rapidly first and come to be a constant at the end.The calculated positron lifetime of carbon nanotube with a dimeter of 0.8~1.6ns is 332~470ps,which agrees with the experiment value of 394ps.Positron annihilation has been studied in widly used compound semiconductors.

计算结果表明:在片层结构的石墨晶体中,正电子主要在石墨层间的空隙中湮没,计算出的石墨中的正电子寿命为208 pS,与文献中的实验结果215 ps符合很好;在金刚石单晶中,正电子主要在碳原子之间的空隙中存在并发生湮没,计算出的金刚石中的正电子寿命为115 ps,文献中的实验结果110 ps左右符合;在面心立方结构的C60晶体中,正电子主要在C60分子球壳内外侧及分子之间存在,C60球形分子中心正电子分布很少,正电子的湮没区域集中在C60分子之间的空隙区域,计算出的C60中的正电子寿命为352 ps与文献中的实验结果356ps相符合;对于不同管径碳米管束中的正电子分布,随着碳纳米管直径的增加,碳纳米管束中的正电子由主要在碳纳米管管间的区域出现转变为主要在碳纳米管管内中心的区域出现:碳纳米管束中的正电子与碳原子的价电子的湮没概率变得越来越大,与核心电子的湮没概率变得越来越小;碳纳米管束中正电子的湮没寿命先迅速增大,而后趋于一定值。

LOANER agrees to loan to the LOANEE and the LOANEE agrees to loan from LOANER, the equipment( the" Equipment") described in this Agreement for the entire Term of loan as stipulated herein, subject to the Terms and Conditions of this Agreement.

根据合同条款所述,出租人同意在租用期限内向承租人出租租用物件,承租人也同意对本租用物件以接受。

It indicates that some of petroleum coke combustion agrees with one step model while other of petroleum coke combustion agrees with two steps model.

燃烧的热重分析结果表明,有些石油焦的燃烧符合一步反应模型,有些石油焦的燃烧符合明显的两步反应模型。

Accordingly, Company agrees to grant, and Customer agrees to accept a Sublicense in accordance with the following terms and conditions

因此,卖方同意按照下列条款和条件向客户授予分许可,而用户同意按照下列条款和条件接受该项分许可

Agrees to buy and the Seller agrees to sell the undermentioned commodity subject to the terms and conditions stipulated below.

英译与时间有关的文字,都应非常严格慎重地处理,因为合同对时间的要求是准确无误。

Of the Latin there are two recensions: the Old Latin, which agrees substantially with the Sinaitic Septuagint; and the Vulgate, made by Jerome from an Aramaic text, which often agrees with it, although it presents many divergencies.

对拉丁美洲有两个recensions :旧拉丁语,同意大幅与西乃半岛septuagint ;和武加大,取得了由Jerome从一阿拉姆语的文字,这往往同意它,虽然它存在许多分歧。

One, conventional damages clause and time limit for a project procrastinate period clause of amerce agreement damages results from the standard condition of FIDIC contract, it is to show the party both sides when the contract is signed agrees one party break a contact should pay the computation of fine the means to another, time limit for a project procrastinates period the example that fine even if agrees damages is relatively typical, it maintains owner interest.

一、约定损害赔偿条款与工期拖期罚款约定损害赔偿条款源于FIDIC合同的标准条件,是指在合同签定时的当事人双方约定一方违约应向另一方支付罚金的计算方法,工期拖期罚款就是约定损害赔偿较为典型的例子,它是维护业主利益的。

Party B agrees that in the event it continues to operate or subsequently begins to operate any other business , in addition to the requirements set forth in Section V of this Agreement, it will not use, or permit, participate in or aid the use of any reproduction, counterfeit, copy or colourable imitation of the Products, Proprietary Equipment or Samples, either in part or in whole, or the Marks in connection with such other business which may cause confusion, mistake or deception or which may dilute Party A's exclusive rights in and to the Products, Proprietary Equipment or Samples, and further agrees not to utilise or aid or participate in the use of any designation of origin or description or representation which falsely suggests or represents an association or connection with Party A.

乙方同意如果其继续经营或继续开始经营任何其他生意,除了本协议第 V 条所提要求外,乙方亦将不会部分或全部的使用、许可、参加或帮助他人部分或全部的使用产品、专有设备及样品的任何复制、伪造、仿制、抄袭或似是而非的仿制品,不会在商业经营中使用可能造成混淆、错误、欺骗并由此可能削弱甲方在其产品、专有设备及样品上的专有权的商标。乙方进一步同意不利用、帮助或参加使用任何错误的表达或代表了与甲方的关系或联系的对产品原件或其描述、陈述的设计。

Whereby the buyer agrees to buy and the seller agrees to sell the under-mentioned commodity to the terms and conditions

付款条件:买方一收到货物,必须立刻在一个月内用现金与卖方结清账务。

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By the time of its fall, most of the prisoners were writers who had written against the corruptions of the government.

到它被攻陷的时候,里面多数的犯人是写了反对政府贪污文章的作家。

The most obvious variation to ovum morphological character was that the color was changed from light green to sepiaceous in embryonic development, and all the ovums were almost hatched after 96h.

在胚胎发育过程中卵的形态特征最明显的变化是颜色从淡绿到深褐色,卵在发育96h后卵基本全部孵化。

There was a conflict between plebs and patricians in ancient Rome in 494BC.

在公元前494年,罗马发生了一次平民反对贵族的斗争。