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21.
22.
Osamu Sugino Ikutaro Hamada Minoru Otani Yoshitada Morikawa Tamio Ikeshoji Yasuharu Okamoto 《Surface science》2007,601(22):5237-5240
First-principles molecular dynamics simulations have been carried out for water in contact with Pt(1 1 1) surface. To apply negative bias potential to the water/Pt interface, excess electrons were added to our slab model using the recently developed computational scheme called “effective screening medium (ESM)”. Water molecules located away from the surface reoriented themselves to screen the electric field, but they responded differently near the surface. Water molecules nearest to the surface, forming a distinct layered structure with the hydrogen atom directed to the surface, increased the density with increasing field. On these bases, we discuss microscopic aspects of the electric double layer. 相似文献
23.
The paper addresses a class of boundary value problems in some self-similar ramified domains, with the Laplace or Helmholtz equations. Much stress is placed on transparent boundary conditions which allow the solutions to be computed in subdomains. A self similar finite element method is proposed and tested. It can be used for numerically computing the spectrum of the Laplace operator with Neumann boundary conditions, as well as the eigenmodes. The eigenmodes are normalized by means of a perturbation method and the spectral decomposition of a compactly supported function is carried out. Finally, a numerical method for the wave equation is addressed. 相似文献
24.
A statistical approach was applied to describe the model of a homogeneous microporous adsorbent and obtain the dependences
of the thermodynamic functions on the number of molecules and the temperature for molecular aggregates in discrete micropores
over a wide region of fillings that lead to the Dubinin—Radushkevich equation. The energy nonuniformity of the adsorption
space is the fundamental property of carbon adsorbents. In the region of small fillings, the statistical approach leads to
Henry's law and the finite value of the initial differential energy of adsorption. The value of sorption corresponding to
the saturated vapor pressure decreases with increasing temperature, but the decrease is considerably less than for the density
of the corresponding liquid.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 261–265, February, 1999. 相似文献
25.
We consider a mathematical problem modelling some characteristics of near field optical microscope.We take a monofrequency line source to illuminate a sample with constant index of refraction and use the scattered field data measured near the sample to reconstruct the shape of it. Mixed reciprocity relation and factorization method are applied to solve our problem.Some numerical examples to show the feasibility of the method are presented. 相似文献
26.
In this paper, a constant heat transfer coefficient present in a nonlinear Robin‐type boundary condition associated with an elliptic equation is reconstructed uniquely from a single boundary energy measurement. Two types of such boundary energy measurement are considered, and solvability theorems for the solution of the resulting nonlinear inverse problems are provided. Further, one‐dimensional numerical results are presented and discussed. Copyright © 2008 John Wiley & Sons, Ltd. 相似文献
27.
Houde Han Zhongyi Huang 《计算数学(英文版)》2008,(5):728-739
In this paper, we propose a tailored-finite-point method for the numerical simulation of the Helmholtz equation with high wave numbers in heterogeneous medium. Our finite point method has been tailored to some particular properties of the problem, which allows us to obtain approximate solutions with the same behaviors as that of the exact solution very naturally. Especially, when the coefficients are piecewise constant, we can get the exact solution with only one point in each subdomain. Our finite-point method has uniformly convergent rate with respect to wave number k in L^2-norm. 相似文献
28.
This paper mainly focuses on refrigerant mixtures with relatively simple critical behavior, and presents a practical and useful method for the critical point calculation for the mixtures using mixture models based on Helmholtz energy equations of state. The expression for critical point criterion suitable for this objective is derived first. Numerical manipulations to obtain a physically correct solution are described in detail. For four binary refrigerant mixtures of difluoromethane (R-32) + pentafluoroethane (R-125), R-125 + 1,1,1,2-tetrafluoroethane (R-134a), R-125 + 1,1,1-trifluoroethane (R-143a), and R-32 + propane (R-290), the critical temperatures and critical molar volumes are calculated applying the presented method. The calculation results are compared with experimental values, and the capabilities of the mixture models for the mixtures in the critical region are discussed. 相似文献
29.
In this paper,a new approach is devoted to find novel analytical and approximate solutions to the damped quadratic nonlinear Helmholtz equation(HE)in terms of the Weiersrtrass elliptic function.The exact solution for undamped HE(integrable case)and approximate/semi-analytical solution to the damped HE(non-integrable case)are given for any arbitrary initial conditions.As a special case,the necessary and sufficient condition for the integrability of the damped HE using an elementary approach is reported.In general,a new ansatz is suggested to find a semi-analytical solution to the non-integrable case in the form of Weierstrass elliptic function.In addition,the relation between the Weierstrass and Jacobian elliptic functions solutions to the integrable case will be derived in details.Also,we will make a comparison between the semi-analytical solution and the approximate numerical solutions via using Runge-Kutta fourth-order method,finite difference method,and homotopy perturbation method for the first-two approximations.Furthermore,the maximum distance errors between the approximate/semi-analytical solution and the approximate numerical solutions will be estimated.As real applications,the obtained solutions will be devoted to describe the characteristics behavior of the oscillations in RLC series circuits and in various plasma models such as electronegative complex plasma model. 相似文献
30.
Considering the fundamental solution of the Laplace equation as the weight function, we give the iterative format for solving the nonhomogeneous Helmholtz equation with variable coefficients. Furthermore, the iteration method of BEM for solving the equation mentioned above is obtained. The numerical example is given in this paper. Finally, the iteration method of BEM mentioned above is compared with the coupled method of BEM that was presented before then by authors. 相似文献