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101.
[structure: see text]. The first study on enantioselective oxidation of functionalized sterically hindered disulfides is reported. This study shows that the Shi organocatalytic system using carbohydrate-derived ketone with oxone is superior to the Ellman-Bolm vanadium catalyst in terms of chemical yield and enantioselectivity. Whereas the latter system afforded mostly racemic thiosulfinates in low to moderate yields, the former one afforded thiosulfinates with up to 96% ee.  相似文献   
102.
A comparative study on the allylation of a benzoyl hydrazone with allyl trichlorosilane using monosulfoxides, methylene-bridged C2-symmetric bissulfoxides, and ethylene-bridged C2-symmetric bissulfoxides shows that the enantioselectivity of the process is highly dependent on the spacer between the two sulfinyl sulfurs and the concentration of the reaction.  相似文献   
103.
104.
This current work describes the preparation of MgO-SBA-15 catalysts by ultrasonic method, and it is characterized by the different analysis techniques of XRD, BET, SEM, and IRTF. In order to find out an application for this mesoporous material, MgO/SBA-15 was used as a heterogeneous catalyst in the one-pot synthesis of pyrano[3,2-c]chromenes derivatives isolated at room temperature reaction according to green chemistry criteria. To enhance these derivatives, a spectroscopic study of molecular fluorescence properties was carried out as well as an identification analysis by nuclear magnetic resonance and FTIR was used. Furthermore, biological activity experiment is also carried out, from where the obtained test results were satisfactory for AC09 , AC05 , and AC10 compounds and they are checked after computation by molecular modeling.  相似文献   
105.
This paper describes the results of an experimental study on the undrained shear behaviour of loose sand collected from the location close to the epicenter of the recent Chlef (Algeria) Earthquake (October 10,1980).The study focuses on the effects of the mode of the soil deposition on the liquefaction resistance of the Chlef sand.For this purpose,the results of undrained monotonic triaxial compression tests performed on samples with initial density of 0.29 under initial confining pressures ranged from 50 kPa to 200 kPa are presented.The specimens were prepared by two depositional methods namely dry funnel pluviation and wet deposition.It was found that there was a marked difference in the undrained behaviour of sand in terms of maximal deviatoric stress,peak strength,residual strength and excess pore water pressure,even though the density and stress conditions were identical.The conclusion was that the soil fabric was responsible for this result.The results indicated also that at low confining pressures,the specimens reconstituted by the wet deposition method exhibited complete static liquefaction (zero effective confining pressure and zero stress difference).  相似文献   
106.
In the spirit of the work of Blaise et al. [J Chem Phys, 2005, 122, 64306], we have extended their quantum theoretical approach by accounting for the intrinsic anharmonicity of the slow frequency mode, which is described by a Morse potential to reproduce the polarized infrared line shapes of glutaric acid dimer and its deuterium derivative at different temperatures. In this approach, the adiabatic approximation is performed for each separate H‐bond bridge of the dimer, and a strong nonadiabatic correction is introduced into the model via the resonant exchange between the fast mode excited states of the two moieties. Working within the strong anharmonic coupling theory, according to which the high‐frequency mode is anharmonically coupled to the H‐bond bridge, this approach incorporated the Davydov coupling between the excited states of the two moieties, the quantum direct and indirect dampings and the intrinsic anharmonicity of the H‐bond bridge. The spectral density was obtained within the linear response theory by Fourier transform of the damped autocorrelation functions. The numerical results show that the theoretical line shapes of the glutaric acid dimer are in fairly good agreement with the experimental ones. Using a minimum number of independent parameters, this theoretical approach fits correctly the experimental line shapes of the glutaric acid dimer. The effects of deuteration and temperature have been successfully reproduced by our calculations. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012  相似文献   
107.
The effect of the molar volume on the mechanical properties of three polymers is computed using molecular mechanics. It is demonstrated that elastic properties significantly depend on the molar volume. To be reproducible they must be determined for a series of “stable” glassy configurations for which the potential energy is minimized not only according to the coordinates but also to the molar volume. If these conditions are not fulfilled, a great disparity in values between experiment and simulation is observed. The procedure is first applied to PVC. It is then argued that coherent results stemming from the application of this approach to both tacticities of PMMA justifies its application toward other polymers.

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108.
This paper discusses the results of a study related to natural convection cooling of a heat source located on the bottom wall of an inclined isosceles triangular enclosure filled with a Cu water-nanofluid. The right and left walls of the enclosure are both maintained cold at constant equal temperatures, while the remaining parts of the bottom wall are insulated. The study has been carried out for a Rayleigh number in the range 104 ≤ Ra ≤ 106, for a heat source length in the range 0.2 ≤ ε ≤0.8, for a solid volume fraction in the range 0 ≤ ?≤0.06 and for an inclination angle in the range 0° ≤ δ≤45°. Results are presented in the form of streamline contours, isotherms, maximum temperature at the heat source surface and average Nusselt number. It is noticed that the addition of Cu nanoparticles enhances the heat transfer rate and therefore cooling effectiveness for all values of Rayleigh number, especially at low values of Ra. The effect of the inclination angle becomes more noticeable as one increases the value of Ra. For high Rayleigh numbers, a critical value for the inclination angle of δ = 15° is found for which the heat source maximum temperature is highest.  相似文献   
109.
The aim of this paper is to propose a hybrid observer design for linear switched systems modelled either via Differential Petri Nets (DPN) or via Timed Differential Petri Nets (TDPN). The switched systems, herein, considered are characterized by switching laws that can depend on the continuous states or on both of a given dwell time and the continuous states. In addition, the structure of the proposed observers is based on a discrete observer and a continuous observer on interaction. The discrete observer reconstructs the discrete mode, by estimating both of the discrete marking and the firing vector. Once, the active mode is obtained, the continuous states are estimated. Finally, the outputs of the continuous observer are used to update the marking and the firing vector. At the end of the paper, several simulation results are presented to illustrate the proposed approach.  相似文献   
110.
In several automotive and aircraft applications there is a need for simple tools to assess quickly and accurately the performance of sound packages. Statistical energy analysis (SEA) and the transfer matrix method (TMM) are examples of such methods. The used methodology (for modeling sound packages) is well validated for acoustic excitations (airborne). However, a simple and reliable methodology is still lacking for mechanical excitations (structure-borne). This work concentrates on the latter. It presents and compares three different simple approaches to model the vibration and acoustic response of a mechanically excited structure with an added noise control treatment. Various examples are presented to confirm their relevance and accuracy in comparison to more exact and costly methods, such as the finite element method. In particular, it is shown that the TMM with a size correction (FTMM) is accurate enough to eliminate the classical assumption of low coupling classically assumed in SEA modeling of sound packages and/or compute efficiently the structure-borne insertion loss of sound packages used in SEA and FEM models.  相似文献   
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