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991.
992.
Tobias M. Haas 《Journal of statistical physics》1989,54(1-2):201-219
An investigation is made of how a recently foundq-state generalization of the hard-square model fits into a more general phase diagram. The investigation is done by Monte Carlo and series expansion methods. Evidence is presented that the one-dimensional manifold of parameters along which the model is exactly solvable represents a line of first-order phase transitions. 相似文献
993.
Summary A survey is outlined of some of the normal-state crystal properties of high Tc oxides that have been calculated recently by atomistic lattice simulations. 相似文献
994.
In this paper we propose a continuous-time Markov chain to describe the spread of an infective and non-mortal disease into a community numerically limited and subjected to an external infection. We make a numerical simulation that shows tendencies for recurring epidemic outbreaks and for fade-out or extinction of the infection. 相似文献
995.
Marie Cabana Véronique Fortuné Peter Jordan 《Theoretical and Computational Fluid Dynamics》2008,22(2):87-106
A decomposition of the Lighthill source term is effected which yields ten sub-terms comprising velocity, vorticity, dilatation
and density fields. An analysis methodology is then developed, aimed at understanding the respective roles played by these
sub-terms in the production of sound. By Direct Numerical Simulation of a temporal mixing-layer—chosen both for its simplicity
and its amenability to analysis in wavenumber space—the radiating components of the different sub-terms are isolated and studied.
Interesting identities are observed between specific events in the evolution of the flow and the various sub-terms of the
source, and the essence of the sound production mechanism is found to comprise subtle imbalances which disrupt inherent space–time
symmetries which exist between the various sub-terms.
相似文献
996.
煤炭城市是由人口、资源、经济与环境四个子系统构成的复杂系统.其可持续发展依赖于各子系统的合理结构和发展模式以及对系统的有效控制.将可持续发展思想与系统动力学模拟方法相结合,在分析了煤炭城市系统结构基础上,构建了煤炭城市系统动力学模型:确定生育指数、各产业投资比例、资源循环利用率等为调控参数,以典型煤炭城市鸡西市为例进行了5种发展模式的模拟和调控.结果表明:可持续发展模式与其他四种发展模式相比,取得的经济、资源、环境整体效益最大,是鸡西市发展的相对最佳方案. 相似文献
997.
998.
A technical problem in cellulosic nanocomposite materials is the weak interaction between hydrophilic cellulose and hydrophobic polymer matrices. One approach to solve this difficulty is to chemically graft monomers of the matrix polymer onto the cellulose surface. An important question is to understand the effect such surface modification has on the interfacial properties. Semi-empirical approaches to estimate work of adhesion based on surface energies do not provide information on specific molecular interactions. Details about these interactions were obtained using molecular dynamics (MD) simulation. Cellulose interfaces with water and caprolactone medium were modeled with different amounts of grafted caprolactone. The modification lead to an increased work of adhesion between the surface and its surrounding medium. Furthermore, the MD simulations showed that the interaction between cellulose, both modified and non-modified, and surrounding medium is dominated by Coulomb interactions, predominantly as hydrogen bonds. 相似文献
999.
Anastassia N. Rissanou Spiros H. Anastasiadis Ioannis A. Bitsanis 《Journal of polymer science. Part A, Polymer chemistry》2009,47(24):2462-2476
When a polymer chain in solution interacts with an atomically smooth solid substrate, its conformational properties are strongly modified and deviate substantially from those of chains in bulk. In this work, the interplay of two competing transitions that affect the conformations of polymer chains near an energetically attractive surface is studied by means of Monte Carlo simulations on a cubic lattice. The transition from an extended to a compact conformation of a polymer chain near an attractive wall, as solubility deteriorates, exhibits characteristics akin to the “coil-to-globule” transition in bulk. An effective θ-temperature is determined. Its role as the transition point is confirmed in a variety of ways. The nature of the coil-to-compact transition is not qualitatively different from that in the bulk. Adsorbed polymer chains may assume “globular” or “pancake” configurations depending on the competition among adsorption strength, cohesive energy, and entropy. In a very relevant range of conditions, the dependence of the adsorbate thickness on chain-length is intermediate between that of 3-d (“semidroplets”) and 2-d (“pancake”) objects. The focus of this study is on rather long polymer chains. Several crucial features of the transitions of the adsorbed chains are N-dependent and various aspects of the adsorption and “dissolution” process are manifested clearly only at the “long chain” limit. © 2009 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 47: 2462–2476, 2009 相似文献
1000.
Polydisperse suspensions consist of particles differing in size or density that are dispersed in a viscous fluid. During sedimentation, the different particle species segregate and create areas of different composition. Spatially one-dimensional mathematical models of this process can be expressed as strongly coupled, nonlinear systems of first-order conservation laws. The solution of this system is the vector of volume fractions of each species as a function of depth and time, which will in general be discontinuous. It is well known that this system is strictly hyperbolic provided that the Masliyah–Lockett–Bassoon (MLB) flux vector is chosen, the particles have the same density, and the hindered-settling factor (a multiplicative algebraic expression appearing in the flux vector) does not depend on the particle size but is the same for all species. It is the purpose of this paper to prove that this hyperbolicity result remains valid in a fairly general class of cases where the hindered-settling factor does depend on particle size. This includes the common power-law type hindered-settling factor in which the exponent, sometimes called Richardson–Zaki exponent, is determined individually for each species, and is a decreasing function of particle size. The importance of this paper is two-fold: it proves stability for a class of polydisperse suspensions that was not covered in previous work, and it offers a new analysis of real data. 相似文献