构

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。

The distribution of prolyl peptide bond conformations, Ramatrandran distribution, atom distance of main chain, distribution of conformation energy after 300 times simulated annealing are analyzed.

通过模拟退火的分子动力学方法，对2种BPP分子的4种构象(cis-BPP-5b、trans-BPP-5b、cis-BPP-9a、trans-BPP-9a)在经过300次模拟退火后的脯氨酸肽键的构象分布、Ramatrandran分布、主链上原子距离、构象能量的分布进行了统计分析。

The invention includes all sterioisomeric forms, including individual diastereoisomers and enantiomers of the compound of formula as well as racemic and non-racemic mixtures thereof.

本发明包括式化合物所有的立体异构形式，包括单个的非对映异构体和对映异构体，及其外消旋的和非外消旋的混合物。

Heterogeneous distributed systems have different processors and each processor has different capability and robusticity.

研究了基于异构分布式系统的实时容错调度算法，同构分布式系统中的处理机完全相同，而在异构分布式系统中各个处理机均不相同，各个处理机有不同的处理能力和不同的健壮性。

Explicitly, they are consist of three classes: If H is semisimple, then H k* for some finite group; If H is not semisimple and the characteristic of k is zero, then H is isomorphic the dual of the cross product between one so called Andruskiewitsch-Schneider algebra and a group algebra; If H is not semisimple and the characteristic of k is not zero, then H is isomorphic the dual of the cross product between one special algebra and a group algebra.

具体地讲，它们共(来源：5fbfA02BC论文网www.abclunwen.com)分三类：①如果H是半单的，则H同构与一个群代数的对偶；②如果H是非半单的并且基础域的特征是0的话，则H同构一个所谓Andruskiewitsch-Schneider代数与一个群代数交差积的对偶；③如果H是非半单的并且基础域的特征不是0的话，则H同构于某个特定代数与一个群代数交差积的对偶。

The results are in good agreement with available experimental results. The entropy effect on the Gibbs free energies of 6-thioxanthine base is very small and there is little significance for the tautomeric equilibria of the base.

计算结果同已有实验结果一致。6-硫代黄嘌呤异构化的熵效应小，对互变异构平衡几乎没有显著的影响，而焓变对互变异构产生了主要的影响。

Comparisons between the experimental and computational IR spectra clarify the difference of the open- and closed-ring isomers, which indicate that it is possible to identify the tautomeric form of this diarylethene derivative using a highly selective infrared absorption band and the strong absorption at 1 705 cm-1 of the ring-closed isomer can be used in non-destructive readout by IR light.

通过红外吸收光谱表征了该光致变色二芳基乙烯衍生物在溶液中开、关环前后结构的变化，并采用理论化学计算方法研究了该化合物开、关环异构体的红外吸收振动特性。光致变色异构化过程可以通过红外吸收光谱的变化而识别。关环异构体在1 705 cm

The influence of binding of cisplatin adducts on tautomeric equilibrium of guanine was investigated using quantum chemical method. The monoaqua adduct [Pt(NH3)2Cl(H2O)]＋and the diaqua adduct [Pt(NH3)2(H2O)2]2＋were chosen for coordination to the N(7) site of guanine tautomers.

使用量子化学MPW1PW方法，优化了顺铂键连到DNA碱基-鸟嘌呤及互变异构体N7形成的配合物的构型，同时用MP2方法计算其能量，以研究顺铂对鸟嘌呤互变异构作用的影响。

Traduction et introduction", reveals Derrida's invention of the important 支柱 of the coming deconstruction theory－the principle of postponement while disclosing Derrida's appropriation and reformation of Husserl's thought through the analysis of "remote communication","the fundamental position of ego","the Verleiblichung of language and writing" and"the seeing and listening of the Ideas .

本部分共以五章的篇幅对德里达的声音解构和时间解构在逻辑上的运作过程进行深耕细作，在行文过程中也充分关注到德里达对胡塞尔符号学理论的误置和阉割之处，但这一部分的重点仍落在德里达在误置中的意外发现上：作为解构理论根基之一的&充替&原理。论文的理论创新

A major challenge of the heterogeneous wireless networks is how to jointly utilize the resources of different radio access technologies in an efficient manner. Because of the different system capacities of BS/AP and ununiformity of traffic distribution in different cells, quantities of new calls may be blocked in the overloaded cell in some hot spots; whereas its neighboring under-loaded BS/AP have superfluous bandwidth. In order to raise resource utilization of heterogeneous networks, several novel load balancing strategies are proposed, which combine the call admission control and multi-hop routing protocol of ad-hoc network.

异构无线网络的主要挑战是如何高效利用各种接入网的无线资源，针对异构无线网络基站或AP的容量差异及业务分布不均，导致通信热点地区的新呼叫因负载过重大量阻塞，而相邻轻负载小区却有容量盈余的现象，本文提出了几种联合呼叫接纳控制及ad hoc网络多跳路由算法的负载均衡策略，以提高整个异构网络的资源利用率。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。