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Metastable Face-Centered Cubic Structure and Structural Transition of Sn on 2H-NbSe2(0001)
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作者 Ai-Min Li Lu-Dong +8 位作者 Xin-Yi Yang Zhen Zhu Guan-Yong Wang Dan-Dan Guan Hao Zheng Yao-Yi Li Canhua Liu Dong Qian Jin-Feng Jia 《Chinese Physics Letters》 SCIE CAS CSCD 2018年第6期58-61,共4页
Surface structures and properties of Sn islands grown on superconducting substrate 2H-NbSe2(0001)are studied using low temperature scanning tunneling microscopy or spectroscopy.The pure face-centered cubic(fee)str... Surface structures and properties of Sn islands grown on superconducting substrate 2H-NbSe2(0001)are studied using low temperature scanning tunneling microscopy or spectroscopy.The pure face-centered cubic(fee)structure of Sn surface is obtained.Superconductivity is also detected on the fcc-Sn(111)surface,and the size of superconducting gap on the Sn surface is nearly the same as that on the superconducting substrate.Furthermore,phase transition occurs from fcc-Sn(111)toβ-Sn(001)by keeping the sample at room temperature for a certain time.Due to the strain relaxation on theβ-Sn islands,both the in-plane unit cell and out-of-plane structures distort,and the height of surface atoms varies periodically to form a universal ripple structure. 展开更多
关键词 SN Metastable Face-Centered Cubic structure and structural Transition of Sn on 2H-NbSe2
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Structure of Chinese City Network as Driven by Technological Knowledge Flows 被引量:36
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作者 MA Haitao FANG Chuanglin +1 位作者 PANG Bo WANG Shaojian 《Chinese Geographical Science》 SCIE CSCD 2015年第4期498-510,共13页
Based on patent cooperation data,this study used a range of city network analysis approaches in order to explore the structure of the Chinese city network which is driven by technological knowledge flows.The results r... Based on patent cooperation data,this study used a range of city network analysis approaches in order to explore the structure of the Chinese city network which is driven by technological knowledge flows.The results revealed the spatial structure,composition structure,hierarchical structure,group structure,and control structure of Chinese city network,as well as its dynamic factors.The major findings are:1) the spatial pattern presents a diamond structure,in which Wuhan is the central city;2) although the invention patent knowledge network is the main part of the broader inter-city innovative cooperation network,it is weaker than the utility model patent;3) as the senior level cities,Beijing,Shanghai and the cities in the Zhujiang(Pearl) River Delta Region show a strong capability of both spreading and controlling technological knowledge;4) whilst a national technology alliance has preliminarily formed,regional alliances have not been adequately established;5) even though the cooperation level amongst weak connection cities is not high,such cities still play an important role in the network as a result of their location within ′structural holes′ in the network;and 6) the major driving forces facilitating inter-city technological cooperation are geographical proximity,hierarchical proximity and technological proximity. 展开更多
关键词 technological knowledge flows patent cooperation city networks network structure structure holes cohesive subgroup
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First principles study of structural, electronic, elastic and magnetic properties of cerium and praseodymium hydrogen system REH_x(RE:Ce, Pr and x=2, 3) 被引量:10
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作者 G.Sudha Priyanga R.Rajeswarapalanichamy K.Iyakutti 《Journal of Rare Earths》 SCIE EI CAS CSCD 2015年第3期289-303,共15页
The structural, electronic, elastic and magnetic properties of cerium, praseodymium and their hydrides REH x(RE=Ce, Pr and x=2, 3) were investigated by the first principles calculations based on density functional t... The structural, electronic, elastic and magnetic properties of cerium, praseodymium and their hydrides REH x(RE=Ce, Pr and x=2, 3) were investigated by the first principles calculations based on density functional theory using the Vienna ab-initio simulation package. At zero pressure all the hydrides were stable in the ferromagnetic state. The calculated lattice parameters were in good agreement with the experimental results. The bulk modulus decreased with the increase in the hydrogen content for these hydrides. The electronic structure revealed that di-hydrides were metallic whereas trihydrides were half metallic at zero pressure. A pressure-induced structural phase transition from cubic to hexagonal phase was predicted in these hydrides. The computed elastic constants indicated that these hydrides were mechanically stable at zero pressure. The calculated Debye temperature values were in good agreement with experimental and other theoretical results. A half metallic to metallic transition was also observed in REH3 under high pressure. Ferromagnetism was quenched in these hydrides at high pressures. 展开更多
关键词 ab-initio calculations electronic structure structural phase transition magnetic properties elastic properties rare earths
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Stability of roof structure and its control in steeply inclined coal seams 被引量:21
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作者 Li Xiaomeng Wang Zhaohui Zhang Jinwang 《International Journal of Mining Science and Technology》 SCIE EI CSCD 2017年第2期359-364,共6页
To improve the effectiveness of control of surrounding rock and the stability of supports on longwall topcoal caving faces in steeply inclined coal seams, the stability of the roof structure and hydraulic supports was... To improve the effectiveness of control of surrounding rock and the stability of supports on longwall topcoal caving faces in steeply inclined coal seams, the stability of the roof structure and hydraulic supports was studied with physical simulation and theoretical analysis. The results show that roof strata in the vicinity of the tail gate subside extensively with small cutting height, while roof subsidence near the main gate is relatively assuasive. With increase of the mining space, the caving angle of the roof strata above the main gate increases. The characteristics of the vertical and horizontal displacement of the roof strata demonstrate that caved blocks rotate around the lower hinged point of the roof structure, which may lead to sliding instability. Large dip angle of the coal seam makes sliding instability of the roof structure easier.A three-hinged arch can be easily formed above both the tail and main gates in steeply inclined coal seams. With the growth in the dip angle, subsidence of the arch foot formed above the main gate decreases significantly, which reduces the probability of the roof structure becoming unstable as a result of large deformation, while the potential of the roof structure's sliding instability above the tail gate increases dramatically. 展开更多
关键词 Steeply inclined coal seam Inclined masonry structure Overlying strata structure instability
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Understanding spatial structures and organizational patterns of city networks in China: A highway passenger flow perspective 被引量:19
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作者 陈伟 刘卫东 +1 位作者 柯文前 王女英 《Journal of Geographical Sciences》 SCIE CSCD 2018年第4期477-494,共18页
The use of multi-perspective and multi-scalar city networks has gradually developed into a range of critical approaches to understand spatial interactions and linkages. In particular, road linkages represent key chara... The use of multi-perspective and multi-scalar city networks has gradually developed into a range of critical approaches to understand spatial interactions and linkages. In particular, road linkages represent key characteristics of spatial dependence and distance decay, and are of great significance in depicting spatial relationships at the regional scale. Therefore, based on highway passenger flow data between prefecture-level administrative units, this paper attempted to identify the functional structures and regional impacts of city networks in China, and to further explore the spatial organization patterns of the existing functional regions, aiming to deepen our understanding of city network structures and to provide new cognitive perspectives for ongoing research. The research results lead to four key conclusions. First, city networks that are based on highway flows exhibit strong spatial dependence and hierarchical characteristics, to a large extent spatially coupled with the distributions of major megaregions in China. These phenomena are a reflection of spatial relationships at regional scales as well as core-periphery structure. Second, 19 communities that belong to an important type of spatial configuration are identified through community detection algorithm, and we suggest they are correspondingly urban economic regions within urban China. Their spatial metaphors include the administrative region economy, spatial spillover effects of megaregions, and core-periphery structure. Third, each community possesses a specific city network system and exhibits strong spatial dependence and various spatial organization patterns. Regional patterns have emerged as the result of multi-level, dynamic, and networked characteristics. Fourth, adopting a morphology-based perspective, the regional city network systems can be basically divided into monocentric, dual-nuclei, polycentric, and low-level equilibration spatial structures, while most are developing monocentrically. 展开更多
关键词 space of flows city network urban economic region urban system monocentric structure polycentric structure community detection
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One Novel Mn(Ⅱ)Complex with 1-Substituted-1H-1,2,3-triazole-4-carboxylic Acid:Crystal Structure,Fluorescence and Hirshfeld Surface Analysis 被引量:3
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作者 赵红 朱毓卿 冯超 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第1期66-72,共7页
The crystal structure of one novel Mn(II) complex, [Mn(pmta)_3]_2[Mn(H_2O)_6]·4H_2O(1), is reported(Hpmta = 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid). In the title compound, the asymmetric ... The crystal structure of one novel Mn(II) complex, [Mn(pmta)_3]_2[Mn(H_2O)_6]·4H_2O(1), is reported(Hpmta = 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid). In the title compound, the asymmetric unit consists of a [Mn(pmta_)3]ˉ anion, half [Mn(H_2O)_6]^(2+) counter cation and two lattice H_2O molecules, and the intra- and intermolecular hydrogen bonds connect the complex into a supramolecular structure. The liquid-state fluorescence spectra of complex 1 have been determined. Hirshfeld surface analysis was also studied. The main intermolecular interactions in the complex are O···H and H···H contacts. 展开更多
关键词 Mn(Ⅱ) complex crystal structure supramolecular structure Hirshfeld surface
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Simulation of 3D parachute fluid–structure interaction based on nonlinear finite element method and preconditioning finite volume method 被引量:3
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作者 Fan Yuxin Xia Jian 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2014年第6期1373-1383,共11页
A fluid–structure interaction method combining a nonlinear finite element algorithm with a preconditioning finite volume method is proposed in this paper to simulate parachute transient dynamics. This method uses a t... A fluid–structure interaction method combining a nonlinear finite element algorithm with a preconditioning finite volume method is proposed in this paper to simulate parachute transient dynamics. This method uses a three-dimensional membrane–cable fabric model to represent a parachute system at a highly folded configuration. The large shape change during parachute inflation is computed by the nonlinear Newton–Raphson iteration and the linear system equation is solved by the generalized minimal residual(GMRES) method. A membrane wrinkling algorithm is also utilized to evaluate the special uniaxial tension state of membrane elements on the parachute canopy. In order to avoid large time expenses during structural nonlinear iteration, the implicit Hilber–Hughes–Taylor(HHT) time integration method is employed. For the fluid dynamic simulations, the Roe and HLLC(Harten–Lax–van Leer contact) scheme has been modified and extended to compute flow problems at all speeds. The lower–upper symmetric Gauss–Seidel(LUSGS) approximate factorization is applied to accelerate the numerical convergence speed. Finally,the test model of a highly folded C-9 parachute is simulated at a prescribed speed and the results show similar characteristics compared with experimental results and previous literature. 展开更多
关键词 Flow fields analysis Fluid–structure interaction Nonlinear structural dynam-ics Numerical analysis Parachute inflation
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A single-level composite structure optimization method based on a blending tapered model 被引量:7
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作者 An Weigang Chen Dianyu Jin Peng 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2013年第4期943-947,共5页
In order to decrease the number of design variables and improve the efficiency of com- posite structure optimal design, a single-level composite structure optimization method based on a tapered model is presented. Com... In order to decrease the number of design variables and improve the efficiency of com- posite structure optimal design, a single-level composite structure optimization method based on a tapered model is presented. Compared with the conventional multi-level composite structure opti- mization method, this single-level method has many advantages. First, by using a distance variable and a ply group variable, the number of design variables is decreased evidently and independent with the density of sub-regions, which makes the single-level method very suitable for large-scale composite structures. Second, it is very convenient to optimize laminate thickness and stacking sequence in the same level, which probably improves the quality of optimal result. Third, ply con-tinuity can be guaranteed between sub-regions in the single-level method, which could reduce stress concentration and manufacturing difficulty. An example of a composite wing is used to demonstrate the advantages and competence of the single-level method proposed. 展开更多
关键词 Blending Composite structure optimization Genetic algorithm Single-level optimization Tapered structure
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Design methods of rhombic tensegrity structures 被引量:2
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作者 Xi-Qiao Feng Yue Li +2 位作者 Yan-Ping Cao Shou-Wen Yu Yuan-Tong Gu 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2010年第4期559-565,共7页
As a special type of novel flexible structures, tensegrity holds promise for many potential applications in such fields as materials science, biomechanics, civil and aerospace engineering. Rhombic systems are an impor... As a special type of novel flexible structures, tensegrity holds promise for many potential applications in such fields as materials science, biomechanics, civil and aerospace engineering. Rhombic systems are an important class of tensegrity structures, in which each bar constitutes the longest diagonal of a rhombus of four strings. In this paper, we address the design methods of rhombic structures based on the idea that many tensegrity structures can be constructed by assembling one-bar elementary cells. By analyzing the properties of rhombic cells, we first develop two novel schemes, namely, direct enumeration scheme and cell-substitution scheme. In addition, a facile and efficient method is presented to integrate several rhombic systems into a larger tensegrity structure. To illustrate the applications of these methods, some novel rhombic tensegrity structures are constructed. 展开更多
关键词 Tensegrity structural design Assembling method Flexible structure
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Concurrent multi-scale design optimization of composite frame structures using the Heaviside penalization of discrete material model 被引量:6
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作者 Jun Yan Zunyi Duan +1 位作者 Erik Lund Guozhong Zhao 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2016年第3期430-441,共12页
This paper deals with the concurrent multi-scale optimization design of frame structure composed of glass or carbon fiber reinforced polymer laminates. In the composite frame structure, the fiber winding angle at the ... This paper deals with the concurrent multi-scale optimization design of frame structure composed of glass or carbon fiber reinforced polymer laminates. In the composite frame structure, the fiber winding angle at the micro-material scale and the geometrical parameter of components of the frame in the macro-structural scale are introduced as the independent variables on the two geometrical scales. Considering manufacturing requirements, discrete fiber winding angles are specified for the micro design variable. The improved Heaviside penalization discrete material optimization interpolation scheme has been applied to achieve the discrete optimization design of the fiber winding angle. An optimization model based on the minimum structural compliance and the specified fiber material volume constraint has been established. The sensitivity information about the two geometrical scales design variables are also deduced considering the characteristics of discrete fiber winding angles. The optimization results of the fiber winding angle or the macro structural topology on the two single geometrical scales, together with the concurrent two-scale optimization, is separately studied and compared in the paper. Numerical examples in the paper show that the concurrent multi-scale optimization can further explore the coupling effect between the macro-structure and micro-material of the composite to achieve an ultralight design of the composite frame structure. The novel two geometrical scales optimization model provides a new opportunity for the design of composite structure in aerospace and other industries. 展开更多
关键词 Composite frame structure Multi-scale optimization Topology optimization Fiber winding angle structural compliance
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Synthesis,Crystal Structure,and Optical Property of Zero-dimensional Quaternary Thioborate:Ba9B3GaS15 被引量:1
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作者 王金秋 刘鹏飞 +1 位作者 黎艳艳 吴立明 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第12期1860-1867,共8页
A new zero-dimensional(0D) thioborate Ba_9B_3GaS_(15) has been discovered by conventional high-temperature solid-state reaction. The compound crystallizes in orthorhombic space group Pbca with a = 8.4759(8),b = ... A new zero-dimensional(0D) thioborate Ba_9B_3GaS_(15) has been discovered by conventional high-temperature solid-state reaction. The compound crystallizes in orthorhombic space group Pbca with a = 8.4759(8),b = 22.266(2),c = 31.426(3) ?,V = 5931(2) ?~3,Z = 8,Mr = 1819.11,Dc = 4.075 g/cm3,μ = 13.684 mm^(-1),F(000) = 6320,S = 1.034,(Δρ)max = 5.039,(Δρ)min = –5.409 e/?~3,the final R = 0.0362 and w R = 0.1053 for 19243 observed reflections with I 〉 2σ(I). The structure is constructed by discrete [BS_3]^(3–) trigonal planes and isolated [GaS_4]^(5–) tetrahedra with Ba^(2+) and isolated S^(2–) filled among them. The UV-Vis-near-IR spectrum reveals a wide band gap of 3.15 eV that agrees with the electronic structure calculation. 展开更多
关键词 thioborate high-temperature solid-state reaction crystal structure optical band gap electronic structure calculation
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Development of Light Weight Structures to Provide Blast-Resistant Designs
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作者 CRAWFORD John E 《Transactions of Tianjin University》 EI CAS 2006年第B09期16-21,共6页
In the past, blast-resistant designs for structures were often constructed with massive type structural systems, which relied more on brute strength than on finesse to achieve the required blast resistance. However, s... In the past, blast-resistant designs for structures were often constructed with massive type structural systems, which relied more on brute strength than on finesse to achieve the required blast resistance. However, structures composed of COLD-FORMED steel components, such as sheet metal and metal studs, have shown great promise in providing blast resistance with the added benefits of low cost and ease of construction. Some examples of using such structures to provide containment for package handling facilities (PHF) are described in the paper for situations where blast containment is needed, such as a potential package bomb being discovered during the package vetting process. Results from tests and analytic data are used to illustrate aspects of design peculiar to such types of applications. Designs for specific capacities of PHF are described. 展开更多
关键词 blast containment package handling facility hardened design light weight structures COLD-FORMED steel structures
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Interaction of Turbulent Coherent Structures and Small Scale Structures
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作者 刘士和 梁在潮 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 1995年第12期1175-1183,共9页
In lhis paper experimental research is carried out for the existence of larqe andsmall scale .structures in turbulent boundary layer and the interactions between these structures. Based on the experimental results ,a ... In lhis paper experimental research is carried out for the existence of larqe andsmall scale .structures in turbulent boundary layer and the interactions between these structures. Based on the experimental results ,a new cethod is suggested io (iescribethe coherent strucures in which the interactions between between the coherent and small-scale slructures are considered ,Using this method a new pattern recognition method is and rough wall conditions. The results show that the suggested method is reasonable . 展开更多
关键词 coherent structures. small scale structures TURBULENT
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STRUCTURE OF TRISUBSTITUTED TUNGSTOSILICATE ANION [A-β-SiW_9Al_3(H_2O)_2O_36(μ_3-O2/2)]_2~14-
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作者 陈亚光 江飞龙 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 1993年第5期338-342,共5页
Crystal of H14C[A-β-SiW9Al3(H2O)2O36(μ3-O2/2)]2 ·8H2O belongs to monoclinic system, space group P2/m. with a= 1 7. 525(6), b=14.348(3). c= 21. 669(8) A , β=113. 12(8)°, V = 5011 (3) A3,Z = 2. Dc = 3. 254 ... Crystal of H14C[A-β-SiW9Al3(H2O)2O36(μ3-O2/2)]2 ·8H2O belongs to monoclinic system, space group P2/m. with a= 1 7. 525(6), b=14.348(3). c= 21. 669(8) A , β=113. 12(8)°, V = 5011 (3) A3,Z = 2. Dc = 3. 254 g. cm-3, A (MoKα) = 0. 70169 A , μ=223. 21 cm-1, F(000) = 4614, T = 298K. R=0. 066 for 3010 unique reflections [I≥5σ(I) ]. The crystal consists of water molecules, protons (or H3O+ ) and dimeric anions [A-β-SiW9Al3 (H2O)2O36(μ3-O2/2)D214.the half of which has a SiO1 tetrahedron in the center, a W3O13 group, two W2Al(H2O) O12 groups and a W2AlO13 group around the SiO4. 展开更多
关键词 Crystal structure Keggin structure Heteroplyanion
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Investigation of Structural, Electronic and Mechanical Properties of Rubidium Metal Hydrides RbMH_4(M=B, Al, Ga)
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作者 Santhosh Manoharan Rajeswarapalanichamy Ratnavelu +2 位作者 Sudhapriyanga Ganesapandian Kanagaprabha Shanmugam Iyakutti Kombiah 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2015年第8期975-983,共9页
Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of rubidium metal hydrides RbMH4(M = B, Al, Ga) for five different crystal structures, nam... Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of rubidium metal hydrides RbMH4(M = B, Al, Ga) for five different crystal structures, namely hexagonal(P63mc), tetragonal(P42/nmc), tetragonal(P421c), orthorhombic(Pnma) and monoclinic(P21/c). Among the considered structures, tetragonal(P421c) phase is found to be the most stable one for these metal hydrides at normal pressure. A pressure-induced structural phase transition from tetragonal(P421c) to monoclinic(P21/c) phase is observed in all the three metal hydrides. The electronic structure reveals that these hydrides are wide band gap semiconductors. The calculated elastic constants indicate that these alkali metal tetrahydrides are mechanically stable at normal pressure. 展开更多
关键词 Ab initio calculations Crystal structure Phase transitions Electronic structure Mechanical properties
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Study on the Industry Structure of Employment and Its Optimizing Measures in China
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作者 Yuan Lin Lunqu Yuan 《Chinese Business Review》 2005年第2期43-48,共6页
This article studies the change in the industry structure of employment in China based on the practical analysis of data of the change in the industry structure of employment and the production value of three major se... This article studies the change in the industry structure of employment in China based on the practical analysis of data of the change in the industry structure of employment and the production value of three major sectors and GNP. At the same time, the article studies the status quo of the industry structure of employment in China compared with other countries. On the basis of these studies, the article indicates the main problems in the industry structure of employment in China and gives some countermeasures to optimize it. 展开更多
关键词 employment structure industry structure industry structure of employment
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The Determinants of Capital Structure: an Empirical Study of Publicly Listed Medicine Manufacturing Companies in China
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作者 Dayou Cheng 《Chinese Business Review》 2004年第6期10-14,共5页
This paper attempts to analyze the important determinants of capital structure in the medicine manufacturing industry of China. Two measures including the ratio of long-term debt to asset and the ratio of total debt t... This paper attempts to analyze the important determinants of capital structure in the medicine manufacturing industry of China. Two measures including the ratio of long-term debt to asset and the ratio of total debt to asset are used as the proxies of leverage, while dependent variables used are asset structure, growth, firm size, profitability and risk. The evidences presented here indicate that asset structure and size significantly influence the capital structure choice. 展开更多
关键词 determinants capital structure leverage asset structure profitability
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The Study of Technical Dimension-Color-Phase Structure
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作者 Guojie Zhao Baojuan Shi 《Chinese Business Review》 2005年第8期27-31,42,共6页
In this paper, we firstly contrast Chinese mode of establishment and construction of technical dimension-color structure. achievements with those of foreign, and then study a phase structure from a complete new heigh... In this paper, we firstly contrast Chinese mode of establishment and construction of technical dimension-color structure. achievements with those of foreign, and then study a phase structure from a complete new height of dimension-color structure. 展开更多
关键词 technical structure comparative research dimension-color structure
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How Horizontal Mergers Improve Industrial Structure?
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作者 Jinxin Zhang Qiusheng Zhang Lin Zhou 《Chinese Business Review》 2004年第1期50-53,共4页
By reviewing the research on the effect of corporate merger, we find that knowledge is still limited to the effect of corporate merger on industrial structure. In this article, firstly we study the effect of horizonta... By reviewing the research on the effect of corporate merger, we find that knowledge is still limited to the effect of corporate merger on industrial structure. In this article, firstly we study the effect of horizontal merger on market structure, then explore the effect of market performance on industrial structure. Finally we present a new model that can explain how horizontal merger improves the adjustment of industrial structure. 展开更多
关键词 horizontal merger industrial structure market performance market structure
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Structural Probing on the Sn-C(C5 ring)Bond of the Sn(Ⅱ)Metallocenes in Both the Solid State and the Temperature-dependent Solution Relaxation State
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作者 周盼 李建成 +2 位作者 张亦伟 李斌 朱红平 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第3期345-355,共11页
Various bond modes of the M-C(C5 ring) exist in metallocene compounds of group 14 heavier elements,mostly due to an intricate interaction between the lone electron pairs at the M center and the 6 p-electrons of the ... Various bond modes of the M-C(C5 ring) exist in metallocene compounds of group 14 heavier elements,mostly due to an intricate interaction between the lone electron pairs at the M center and the 6 p-electrons of the C5 ring.The tin(Ⅱ) metallocene complexes LSn R(L = HC[CMe(N-2,6-iPr2C6H3)]2,R = cyclopentadienyl,C5H5(1); indenyl,C9H7(2); fluorenyl,C(13)H9(3)) stabilized by the β-diketiminato ligand were prepared and utilized in the study on their solid and solution state structures.X-ray single-crystal diffraction data revealed an η~1-mode of the Sn-C(C5 ring) bond in each 1~3.However,the room temperature ~1H NMR spectral studies disclosed such a fluxional bonding mode in solution.The 119 Sn NMR studies suggested a quadruple coordination nature of the Sn center in 1 while the triple coordination manner was for the Sn atom in both 2 and 3.Then the variable-temperature(25~–75 ℃) ~1H NMR spectral studies for each 1~3 were performed,which detected the relaxation state structures of 1~3 at lower temperature.All of these results indicate a stereochemical activity of the lone electron pairs at the tin(Ⅱ) atom that definitely has an electronic interaction with the 6 p-electrons of the C5 ring.The observed Sn-C(C5 ring) bond modes appear influenced by either the metallocene size or the compound state existed. 展开更多
关键词 Sn(Ⅱ) metallocene Sn–CC5 ring bond mode single-crystal structure NMR solution structure stereochemical activity of the lone pair electrons
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