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181.
    
This paper presents our study on pressure‐dependent structural, mechanical, dynamical, electronic, and optical properties of lithium platinum boride (LiPt3B) by using a first‐principles plane‐wave pseudopotential method. In order to determine pressure‐dependent mechanical properties of the material and to check its mechanical stability, single‐crystal elastic constants are calculated in the pressure range of 0–80 GPa. It is shown that LiPt3B is mechanically stable throughout the pressure range. From the calculated electronic structure, LiPt3B has a metallic character. The hardness of the material is calculated as a function of pressure, and it is observed that Pt B bonds play an important role in the hardness. The optical properties of LiPt3B are calculated by including the Drude term. There are significant changes in the degree and the character of electronic and optical properties of LiPt3B at high pressure. Our pressure‐dependent results revealed that LiPt3B is a ductile, hard, and also good reflective material, thus, we can say that it is very promising multifunctional material for a wide range of electronic and electro‐optical technologies.  相似文献   
182.
183.
A liquid-phase microextraction method for the determination of trihalomethanes (THMs) including chloroform (CHCl3), bromodichloromethane (CHBrCl2), dibromochloromethane (CHBr2Cl) and bromoform (CHBr3) in water samples was developed, with analysis by gas chromatography-electron capture detection (GC-ECD). After the determination of the most suitable solvent and stirring rate for the extraction, several other parameters (solvent drop volume, extraction time and ionic strength of the sample) were optimized using a factorial design to obtain the most relevant variables. The optimized extraction conditions for 5 mL of sample volume in a 10 mL vial were as follows: n-hexane an organic solvent; a solvent drop volume of 2 μL; an extraction time of 5.0 min; a stirring rate of 600 rpm at 25 °C; sample ionic strength of 3 M sodium chloride. The linear range was 1-75 μg L−1 for the studied THMs. The limits of detection (LODs) ranged from 0.23 μg L−1 (for CHBr2Cl) to 0.45 μg L−1 (for CHCl3). Recoveries of THMs from fortified distilled water were over 70% for a fortification level of 15 μg L−1, and relative standard deviations of the recoveries were below 5%. Real samples collected from tap water and well water were successfully analyzed using the proposed method. The recovery of spiked water samples was from 73% to 78% with relative standard deviations below 7%.  相似文献   
184.
Shape memory properties of thermally responsive polymeric materials are due mainly to a phase transition from the rubbery phase above the transition temperature (glass transition or melting temperature) to the glassy or semicrystalline phase below this temperature. Within constitutive models of shape memory polymers (SMPs), this phase transition is mathematically accounted for by the frozen volume fraction for which a suitable evolution law must be postulated or derived. In this paper, the evolution laws that have been proposed in the literature are examined both from the experimental and from the theoretical point of view. It is found that the predictive capabilities of the phenomenological laws may be improved by admitting involved material constants to depend on parameters such as pre-strain, rate of heating and cooling, and other quantities characterizing thermomechanical cyclic tests. It is next shown that for a wide class of linear constitutive models of SMPs, the evolution law for the frozen volume fraction may be derived in a systematic way from strain and stress profiles experimentally obtained in the standard thermomechanical test.  相似文献   
185.
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The complete and incomplete fusion cross sections for 6Li+209Bi were measured using the in-beam γ-ray method around the Coulomb barrier. The cross sections of (deuteron captured) incomplete fusion (ICF) products were re-quantified experimentally for this reaction system. The results reveal that the ICF cross section is equivalent to that of complete fusion (CF) above the Coulomb barrier and dominant near or below the Coulomb barrier. A theoretical calculation based on the continuum discretized coupled channel (CDCC) method was performed for the aforementioned CF and ICF cross sections; the result is consistent with the experiments. The universal fusion function (UFF) was also compared with the measured CF cross section for different barrier parameters, demonstrating that the CF suppression factor is significantly influenced by the choice of potential, which can reflect both dynamic and static effects of breakup on the fusion process.  相似文献   
186.
    
A time multipoint nonlocal problem for a Schrödinger equation driven by a cylindrical $Q$-Wiener process is presented. The initial value depends on a finite number of futurevalues. Existence and uniqueness of a solution formulated as a mild solution is obtained.A single-step implicit Euler-Maruyama difference scheme, a Rothe-Maruyama scheme, issuggested as a numerical solution. Convergence rate for the solution of the differencescheme is established. The theoretical statements for the solution of this difference schemeis supported by a numerical example.  相似文献   
187.
    
A boundary element method for steady two‐dimensional low‐to‐moderate‐Reynolds number flows of incompressible fluids, using primitive variables, is presented. The velocity gradients in the Navier–Stokes equations are evaluated using the alternatives of upwind and central finite difference approximations, and derivatives of finite element shape functions. A direct iterative scheme is used to cope with the non‐linear character of the integral equations. In order to achieve convergence, an underrelaxation technique is employed at relatively high Reynolds numbers. Driven cavity flow in a square domain is considered to validate the proposed method by comparison with other published data. Copyright © 2001 John Wiley & Sons, Ltd.  相似文献   
188.
    
1,3‐Bis(1H‐benzimidazol‐2‐yl)‐2‐oxapropane ( L ) complexes with Fe(NO3)3, CoCl2, Co(NO3)2, Ni(NO3)2, CuCl2, Cu(ClO4)2, PdCl2, CdI2, Hg(NO3)2 were synthesized and characterized by elemental analysis, molar conductivity, magnetic moment, TGA, FT‐IR, NMR, ESI‐MS, fluorescence spectroscopy. Also, the crystal structure of 1,3‐bis(1H‐benzimidazol‐2‐yl)‐2‐oxapropane]dichlorocobalt(II), [Co( L )Cl2], complex is reported that it has distorted trigonal bipyramidal geometry. Antibacterial activities of the compounds were evaluated using the disk diffusion method against six bacteria and Candida albicans. The Hg(II) complex shows superior activity toward S. epidermidis and E. coli whereas the other complexes are ineffective except the Co(NO3)2 complex: it showed weak activity toward all of the microorganisms.  相似文献   
189.
In this paper we study the translation surfaces generated by a space curve and a planar curve in the isotropic 3-space \({\mathbb{I}^{3}}\). We completely classify such surfaces in \({\mathbb{I}^{3}}\) with constant curvature. Several examples are also given by figures.  相似文献   
190.
In this paper, the Evolutionary Simulated Annealing (ESA) algorithm, its distributed implementation (dESA) and its application to two combinatorial problems are presented. ESA consists of a population, a simulated annealing operator, instead of the more usual reproduction operators used in evolutionary algorithms, and a selection operator. The implementation is based on a multi island (agent) system running on the Distributed Resource Machine (DRM), which is a novel, scalable, distributed virtual machine based on Java technology. As WAN/LAN systems are the most common multi-machine systems, dESA implementation is based on them rather than any other parallel machine. The problems tackled are well-known combinatorial optimisation problems, namely, the classical job-shop scheduling problem and the uncapacitated facility location problem. They are difficult benchmarks, widely used to measure the efficiency of metaheuristics with respect to both the quality of the solutions and the central processing unit (CPU) time spent. Both applications show that dESA solves problems finding either the optimum or a very near optimum solution within a reasonable time outperforming the recent reported approaches for each one allowing the faster solution of existing problems and the solution of larger problems.  相似文献   
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