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The calculated results show: the ground state structures of PtNi5, Pt2Ni4 and Pt3Ni3 clusters are quadrangular bi-pyramid, and Pt4Ni2 and Pt5Ni clusters are triangular bi-pyramid with hat and triangular pyramid with quadrilateral, respectively. From the point of view of thermodynamics, PtnNim clusters are stable because of the negative enthalpy of formation; the positive NICS of PtNi5 clusters show anti-aromaticity, The negative NICS of Pt2Ni4 and Pt5Ni clusters show aromaticity. The number of the IR absorption peak of Pt3Ni3 is the most. The IR and raman absorption peak of PtNi5 , IR of Pt2Ni4, Raman of Pt3Ni3 and Pt4Ni2 have only one. The absorption peak of Pt5Ni appears in the bigger frequencies only, and is zero almost in the small frequencies.

研究结果表明:PtNi5、、Pt2Ni4、Pt3Ni3团簇的基态结构都为四角双锥结构,Pt4Ni2 和Pt5Ni团簇的基态结构分别是戴帽三角双锥和三角锥戴四边形结构;PtnNim团簇的生成焓都为负值,表明团簇在热力学上是稳定的;由NICS值可得,PtNi5团簇具有反芳香性,Pt2Ni4和Pt5Ni团簇具有芳香性;从光谱分析来看,Pt3Ni3团簇的IR较强吸收峰的个数最多,PtNi5团簇的IR和Raman、Pt2Ni4团簇的IR、Pt3Ni3和Pt4Ni2团簇的Raman只有一个强吸收峰值,Pt5Ni团簇的峰值只出现在频率较大的位置,频率小的位置几乎为零。

From the relevant industrial cluster concept, character, and the need for government intervention start knorria from Peter and Jorg meyer Klemens put into industrial clusters Italy - and satellite-based, wheel-classification by industry sector clusters causes of their property cluster consists of a government-led, self-accumulation, Three types of embedded foreign investment; Porter new competition, in accordance with economic theory of the birth of industrial clusters, development and the impact of the decline of factors and the corresponding role of government research ideas, try to industry clusters from the perspective of evolution, dynamic view and thinking in different stages of the evolution of the changing role; and efforts to integrate national and domestic industry clusters unique environment, as well as the stage of development. provide relevant policy recommendations, the government should play a clear role.

本文从产业集群的相关概念、特性、以及政府干预的必要性着手,借鉴Peter knorria和Jorg meyer Stamer把产业集群分为意大利式、卫星式、轮轴式的分类方法,按产业集群的成因把产业集群分为政府主导、自我积累、外资嵌入3种类型;依照波特新竞争经济理论中对产业集群诞生、发展和衰亡的影响因素及相应政府作用的研究思路,尝试着从产业集群演进这个视角下,动态的看待和思考政府在不同演进阶段的角色转变问题;并努力结合国情和国内产业集群的独特环境,以及所处的发展阶段,提供相应的政策建议,明确政府应扮演的角色。

From the relevant industrial cluster concept, character, and the need for government intervention start knorria from Peter and Jorg meyer Klemens put into industrial clusters Italy - and satellite-based, wheel-classification by industry sector clusters causes of their property cluster consists of a government-led, self-accumulation, Three types of embedded foreign investment; Porter new competition, in accordance with economic theory of the birth of industrial clusters, development and the impact of the decline of factors and the corresponding role of government research ideas, try to industry clusters from the perspective of evolution, dynamic view and thinking in different stages of the evolution of the changing role; and efforts to integrate national and domestic industry clusters unique environment, as well as the stage of development. provide relevant policy recommendations, the government should play a clear role.

本文从产业集群的相关概念、特性、以及政府干预的必要性着手,借鉴Peter knorria和Jorg meyer Stamer把产业集群分为意大利式、卫星式、轮轴式的分类方法,按产业集群的成因把产业集群分为政府主导、自我积累、外资嵌入三种类型;依照波特新竞争经济理论中对产业集群诞生、发展和衰亡的影响因素及相应政府作用的研究思路,尝试着从产业集群演进这个视角下,动态的看待和思考政府在不同演进阶段的角色转变问题;并努力结合国情和国内产业集群的独特环境,以及所处的发展阶段,提供相应的政策建议,明确政府应扮演的角色。

It constructs a tentative frame of theories and policies of industrial clusters. It analyzes industrial clusters mechanism and policies. The research outspreads nine parts. The first part states the background, thepurpose and the present situation of the industrial clusters and development zone.Chapter2 summarizes the theory of development zone, which includes itsconnotation, forms and the process of development zone, and then analyzes thetheory and practices of development zone abroad, finding the gap between Chinaand other developed countries and regions. In chapter 3, based on study of presentresearch, this paper discusses competitive advantages and inherent mechanism, putsforward to the necessity of research of industry cluster in hi-tech zones and pointsout that the industry cluster is the key that Hi-tech zones carry out the seconddevelopment In Chapter4, this paper discusses the possibility and their mutualmotivation between industry cluster and development zone from the view ofIndustrial Ecologization, game theory and industrial structure theory; based onanalysis of Chapter3 and Chapter4,the next two chapters underlines thedevelopment mood and mechanism of industrial cluster in developmentzone,besides,these chapters points out the role of government in this mood. InChapter7, this paper discusses the system of evaluation of the performance ofdevelopment zones. At last, based on the analysis above and the present situation ofOptical Valley in Wuhan, Hubei province, the author estimates the performance ofoptical industrial clusters in Optical Valley, and puts forward to the advices about thegovernment, the mood and the policies of optical industrial clusters in OpticalValley.

全文研究从以下八个部分展开:首先,在文章的第一部分,论述了关于本篇论文的研究背景、研究目的和国内外研究的理论与实践现状;第二部分主要阐述了关于开发区的理论,包括其内涵、表现形式和发展历程,并对国外开发区的理论和实践予以论述,由此对比出国内外开发区发展的差距,从中找出国内高新科技园区的不足和先进发展模式的经验——即发展产业集群;第三章产业集群的基本理论,在对现有理论成果作了梳理工作之后,着重分析其竞争优势和内在机理,为开发区发展模式中引入此概念的必要性埋下伏笔;在探讨了开发区内大力发展产业集群的必要性以后,第四部分着重研究其可行性及其互动机制,包括从产业生态学的角度、博弈论的角度、产业组织理论的角度等,为开发区内的产业集群发展的优势进一步展开;在完成了对其必要性和可行性探讨的基础上,在本文的第五和第六部分分别研究了我国开发区产业集群的发展模式和运行机制,以及政府在当中应当扮演的角色,并提出适当的制度建议;第七章给出了开发区产业集群的评价体系,并在此基础上,第八章结合武汉光谷高新技术开发区的现状作出实证分析,对区内产业集群发展情况作出评价,并对其具体发展模式、政府行为及政策建议作出建议。

The numbers of clusters made up of 1551 and 1541 bonded pairs representing the non-crystal structure occupy predominate position and the small numbers of clusters made up of 1431, 1661 and 1441 bonded pairs coexist in the non-crystal system at 4×10〓K/s cooling rate, thus there exist a large number of icosahedra clusters in the non-crystal system. The numbers of clusters made up of 1421 bonded pairs corresponding to the fcc-like structure occupy predominate position and the small numbers of clusters made up of 1422 and 1551 bonded pairs coexist in the crystal system during the 4×10〓K/s cooling process, thus the system can form the regular fcc-like structure.

在4×10〓K/s的冷速下,标征体系非晶结构的五重对称键型1551和1541所形成的小团簇数量在非晶体系中占主导位置,同时还存在少量的1431、1441和1661等其它键型形成的小团簇,这样,体系中含有大量的二十面体团簇结构;在4×10〓K/s的冷速下,标征面心立方结构的1421键型所形成的小团簇数量在晶体中占第一位,同时还存在一定量的1422、1441和1661等其它类型的键对所形成的团簇,体系最终形成面心立方结构。

The structures and stabilities of the ground-states for Cu13-nAgn clusters have been studied by Gupta model potential based on tight binding second moment approximation in combination with a genetic algorithm. It is found that the lowest energy structures of the pure clusters (n=0,13) are perfect icosahedron, and the structures for the bimetallic clusters (n=1~10) have stable structure which are slightly deformed with respect to the perfect icosahedron, The Cu atom prefers to occupy the center of the clusters with higher coordination numbers.

在混合团簇基态结构优化的遗传算法方案中增加了交换算子,结合Gupta紧束缚模型势研究了Cu13-nAgn团簇的最低能量结构,选择合适的交换和杂交概率,可有效地提高优化效率,优化结果表明,Cu13和Ag13是全对称的二十面体,n=1~10的混合团簇能形成稳定结构,其构型是在二十面体基础上发生畸变,Cu原子趋于处在团簇中心,随着Ag原子数目的增加,原子间的平均距离单调增加,团簇的结合能单调减小,Cu2Ag12和CuAg12只存在亚稳结构。

The results show that the ground state structures of CB(superscript -)(n=1~6) clusters are linear as C clusters due to their isoelectrons. For CB (n=1~6) clusters, the ground state structure of C2B is asymmetric triangle and C6B is C(subscript 2v) symmetry planar monocycle, while the other clusters are linear.

结果表明CB(n=1~6)团簇的基态构型均为线形,这与等电子的C簇合物的结构是一致的;CB(n=1~6)团簇的基态构型中,除C2B为不对称的三角形,C6B为具有C(下标 2v)对称性的环状结构外,其余均为线形结构。

It was found:(1) the stability of the clusters increased with the bond number in the clusters;(2) the clusters with three dimensional geometry are more stable than ones with two decisional geometry;(3) the ionic potential of the clusters in gas phase and on the surface of the silver bromide grains are all positive, and the electron affinity are all negative.

结果表明;气相中团簇的稳定性随团簇中键数的增加而升高,三维构型的稳定性大于二维构型的稳定性;气相中Ag〓团簇的电离能都大于零,电子亲和势都小于零;溴化银颗粒表面的Ag〓团簇的电离势也是大于零,电子亲和势也是小于零。

The third chapter aims to discuss the self-organization essence, self-organization growth mechanism, the pattern of self-organization evolving growth.The fourth chapter aims to discuss particularly the correlative mechanism between clusters dynamic core capacity and clusters sustainable growth, and the obtaining of cluster sustainable competitive advantage basede on dynamic core capacity and the fostering and newing of cluster dynamic core capacity based on discussing the rigid competitive advantage. The fifth chapter aims to explain the effecting mechanism of government influencing cluster self-organization-evolvement and the fostering and upgrading of cluster dynamic capacity based on the theory gist of government surpports .The sixth chapter aims to analyse the High-tech industrial clusters of Silicon Valley in American and Low piezoelectricity cluster of Liu shi in zhengjiang province and explains to how self-organization , dynamic core capacity and government surpports effect industrial clusters sustainable gowth.The dissertation's main innovation lies in the following :mechanism model of cluster sustainable growth is constructed under dynamic environment based on self-organization theory and dynamic core capacity theory .

本文共分6章,第1章主要阐述本论文的研究背景、研究问题和研究意义,综述相关的国内外文献,并提出本论文的研究逻辑思路、研究方法和主要内容;第2章在对产业集群本质再认识和集群持续成长内涵分析的基础上,从自组织理论和动态核心能力理论视角,构建了动态环境下集群持续成长机制的概念模型;第3章主要探讨了集群持续成长的自组织本质、自组织成长机理和自组织演化成长模式;第4章在分析集群竞争优势刚性的基础上,提出集群动态核心能力的概念,分析了集群动态核心能力的构成要素及其对集群持续成长的作用机制,探讨了集群动态核心能力的演进与产业集群持续成长的关联机理,并进一步探讨基于集群动态核心能力集群持续竞争优势的获取问题,最后是关于集群动态核心能力的培育与更新的探讨;第5章在论述政府对集群支持的理论依据的基础上,分别探讨了政府对集群自组织演进和对集群动态核心能力的培育和提升的作用机制;第6章实例研究,论文选取了美国硅谷高科技产业集群和浙江柳市低压电器产业集群进行实例分析,研究了自组织、动态核心能力和政府支持三大机制在集群持续成长过程中的作用。

The calculated results show that azido in azides has linear structure , the most optimized CaN6 has linear structure , and the most optimized (CaN6)n (n=2~5) clusters have chain structure of perpendicularity of approximate diamond composed by two azido with two Ca atoms . The middle N atoms of azido show positive, the N atoms at both ends of azido show negative, and the N atoms effected with Ca atoms directly show more negative . There is strong ionic bond between the Ca and N atoms. The IR spectra of the most optimized (CaN6)n (n=1~5) clusters have four vibrational sections , the whole strongest vibrational peak lies in 2195~2280cm-1,and the vibrational mode is anti-symmetric stretching vibration of N-N bonds in azido . Stability analysis show that (CaN6)3 and (CaN6)5 clusters are more stable than other clusters .

结果表明,叠氮化合物中叠氮基以直线型存在,CaN6团簇的最稳定结构为线型结构,(CaN6)n(n=2~5)团簇首先由两个叠氮基与两个Ca原子构成一个近似菱形,再由菱形相互垂直形成链状最稳定结构;叠氮基中间的N原子显示正电性,两端的N原子显示负电性,且与Ca直接作用的N原子负电性更强,金属Ca原子和N原子之间形成很强的离子键;(CaN6)n(n=1~5)团簇最稳定结构的IR光谱分为4个部分,其最强振动峰均位于2195~2280cm-1,振动模式为叠氮基中N-N键的反对称伸缩振动;稳定性分析显示,(CaN6)3和(CaN6)5团簇相对于其他团簇较为稳定。

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