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Unfortunately, it has been shownthat these methods are not suitable to study about chemical bonds due to not involvingchemical bonds. In order to consider chemical bonds obviously, we have proposed an atom-bondelectronegativity equalization model on the basis of density-functionaltheory and electronegativity equalization principle. The main contents of our atom-bond electronegativity equalization model contain:(1)Considering the fact that there are varies of chemical bonds in molecules andpartitioning the molecular electron density as summations of atomic electron densitiesand chemical bond's electron densities, we obtained the basic equations of atom-bondelectronegativity equalization model: the expression of the total energy 〓, theexpression of the atom electronegativity 〓 and the expression of the bondelectronegativity 〓.

为了明确地考虑和处理分子中存在的化学键,以便能够更好地描述体系中的电荷分布进而准确地描述分子体系中的有关物理化学性质,尤其是与化学键有关的物理化学性质,我们在密度泛函理论和电负性均衡原理基础上提出了原子-键电负性均衡模型,原子-键电负性均衡模型的主要内容是:(1)考虑到分子体系中存在各种化学键这个事实,将分子空间看成是由原子区和化学键区组成的,将分子的单电子密度表达成为分子中各组成原子的单电子密度和各化学键的单电子密度的加和,从而得到了原子-键电负性均衡模型的基本方程:分子体系总能量〓和分子中原子电负性〓和化学键电负性〓表达式。

It focuses, in particular, on the WTO Members' decision not to impose customs duties on electronically delivered products.

它集中,特别地,在世界贸易组织成员的决定之上不要加上电子地递送的产品上的关税。

And of course they electronically will have your information.

而且当然他们电子地将会有你的数据。

Over 90 percent of all documents are now created electronically.

超过 90%的所有文件现在被电子地产生。

Well, electronically, that's immensely easy to do.

好吧,电子地,那无限地是容易做的。

Our company's data will be processed and saved electronically.

我们公司的数据将会电子地被处理而且解救。

They will hand in their work electronically to be"auto-marked".

他们将会电子地缴交他们的工作是"汽车-显着的"。

In chapter 4, by AREELS, the Generalized Oscillator Strength Density Spectra were measured in the energy region from 56 to 66eV, with the incident energy 2. 5 keV and energy resolution 80 meV, at scattering angles from 0°to 6°, corresponding to the momentum transfer K〓=0.03~2. 01 a. u. The Fano profile parameters f〓 and q for the optically allowed transition 〓(0, 1)〓P°and the optically forbidden transitions 〓(1, 0)〓S〓and 〓(1, 0)〓D〓 were obtained as a function of K〓. With the hyperspherical coordinate wavefunctions, the dynamical correlation are discussed qualitatively. So, a new experimental way to study dynamical electron correlation effect is opened.In chapter 5, the widely used R-matrix theory was introduced. Then, the GOSDS for the optically allowed excitation series (1s〓)〓S〓→〓(0, 1)〓P°(n=2-4) were calculated by this method, and the Fano profile parameters f〓 and q were obtained sequently. So the electron correlation effect can be described by these parameters quantitatively, and the theoretical results were compared with our AREELS experimental results.

在第四章中,实验上,同样使用角分辨的高能量分辨快电子能量损失谱仪,在2.5keV电子入射能量和80meV的能量分辨下,测量了0°到6°散射角下的He原子双电子激发态在56~66eV的广义振子强度密度谱,这种情况,0°~6°对应的动量转移范围K〓=0.03~2.01a.u。,得到了光学允许跃迁的双电子激发态〓(0,1)〓P〓和光学禁戒跃迁的双电子激发态〓(1,0)〓S〓、〓(1,0)〓D〓的Fano线形参数f〓,q等随动量转移变化的曲线;观测到了几个强度很弱、能级很窄的光学允许和禁戒跃迁双电子激发态,用前人准确的理论结果进行了标识;通过比较弱共振〓(1,0)〓S〓和〓(-1,0)〓S〓的强度随动量转移K〓的变化规律,结合超球坐标理论计算的波函数,定性地阐述了在电子碰撞散射过程中它们各自不同的动力学电子关联效应,发展了一套在实验上研究电子关联效应的新方法。

Based on the hypothesis of Brands, this thesis presents two off-line electronic cash system applied to small payment: one is an off-line nondivisible electronic cash system with complete anonymity, and the other is an off-line nondivisible electronic cashsystem with repealed anonymity. The two systems can solve the bottleneck problem of bank server. Furthermore, based on the concept of virtual debit as well as the payment demand of pay-per-use electronic commerce and mobile commerce, this paper designs a micro-system NPAY, which can solve the problem of extra-consuming, greatly reduce the system communication overhead, and the consumer can anonymously consume.

基于Brands假设,设计了两个适用于小额支付的离线电子现金系统:一个是具有完全匿名性的离线不可分电子现金系统,另一个是可撤消匿名性的离线不可分电子现金系统,这两个系统都较好地解决了银行服务器的瓶颈问题;针对即付即用(pay-per-use)类型电子商务和移动商务的支付需求,基于&虚借记&的概念,设计了一个微支付系统NPAY,较好地解决了消费者超额消费问题,系统的通讯开销也大大减少,并且消费者可以匿名消费。

Based on the hypothesis of Brands, this thesis presents two off-line electronic cash system applied to small payment: one is an off-line nondivisible electronic cash system with complete anonymity, and the other is an off-line nondivisible electronic cash'system with repealed anonymity. The two systems can solve the bottleneck problem of bank server. Furthermore, based on the concept of virtual debit as well as the payment demand of pay-per-use electronic commerce and mobile co mmerce, this paper designs a micro-system NPAY, which can solve the problem of extra-consuming, greatly reduce the system communication overhead, and the consumer can anonymously consume.

基于Brands假设,设计了两个适用于小额支付的离线电子现金系统:一个是具有完全匿名性的离线不可分电子现金系统,另一个是可撤消匿名性的离线不可分电子现金系统,这两个系统都较好地解决了银行服务器的瓶颈问题;针对即付即用(pay-per-use)类型电子商务和移动商务的支付需求,基于&虚借记&的概念,设计了一个微支付系统NPAY,较好地解决了消费者超额消费问题,系统的通讯开销也大大减少,并且消费者可以匿名消费。

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On closer examination, though, this is not a vote for multilateralism but just the opposite.

仔细审视后我们发现,这并非是对多边主义投出的赞成票,而是恰好相反。

Uncovering their weak spots, so I can defeat them.

揭露出他们的弱点,这样我就可以打败他们了。

Methyl bromides, in C_(3v) symmetry, have been extensively studied at their first absorption A-band because the behavior of these molecules can be used as a prototype for depicting numerous types of photodissociations in a variety of polyatomic molecules.

例如,有很多研究报道了C_(3v)对称的溴甲烷等分子在第一吸收带的光解,这是因为其光解行为可以作为理解其它多原子分光解的原型。