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261.
L. Malherbe 《Accreditation and quality assurance》2002,7(5):189-194
Human health risk assessment is a site-based approach used to identify the potential health hazards which are induced by an
old site contamination. For a proper evaluation of the daily doses of contaminants to which people will be exposed given the
future occupation of the site, both a characterization and a quantification of soil pollution are needed. Such information
can be provided by soil sampling. Thus the choice of the location, the number, depth and type of soil samples is very important
and ought to follow a well-defined strategy. A review of contaminated site sampling practices in Europe and North America
could not identify any completely formalized sampling strategy for human health risk assessment. On the contrary there are
several approaches which can be roughly classified into two categories: a systematic sampling scheme over the whole site,
on the one hand, and a sampling design driven by an initial knowledge of the contamination sources and fitted to the suspected
pollution pattern, on the other. The first approach provides a complete coverage of the site but it may be rather expensive
and entail useless sampling. The performance of the second depends on the quality of prior information. Actually both methods
can be combined as explained hereafter. In view of the specificity of each site, the requirements of health risk assessment
and the time and cost constraints, it seems difficult to work out a typical soil sampling strategy suitable for all sites.
However, some recommendations can be made according to the site dimensions, the nature, degree and heterogeneity of contamination,
and the (future) use of the site. The scientist should thus rely on a thorough examination of all available information (site
history, geology and hydrogeology, soil properties, contaminants behaviour , etc.) to delimit contaminated areas as homogeneous
as possible and then distribute the sampling points (e.g.using a sampling grid). They should also take the potential exposure
paths into account in order to define the areas and soil strata to be sampled as a priority. Statistical and geostatistical
tools can be helpful for formulating a sampling strategy as well as for interpreting the collected data.
Received: 7 December 2001 Accepted: 24 February 2002 相似文献
262.
The full configuration interaction method in the space of fractionally occupied unrestricted natural orbitals (UNO-CAS method)
is extended to excited states as well as to strongly correlated and reactive systems with large active spaces. This is accomplished
by␣using restricted active space (RAS) wave functions introduced by Olsen et al. [(1988) J Chem Phys 89: 2185] and using the
UNOs without the expensive orbital optimization step. In RAS, the space of active orbitals is subdivided into three groups:
a group with essentially doubly occupied orbitals (RAS1), the usual CAS space (RAS2), and a space with weakly occupied active
orbitals (RAS3). We select these spaces on the basis of the occupation numbers of the UNOs. All possible electron distributions
are allowed in the usual CAS space, but the number of vacancies is limited in RAS1 and the number of electrons is limited
in RAS3. We discuss an efficient algorithm for generating a RAS wave function. This is based on the Handy-Knowles determinantal
expansion with an addressing scheme adopted for the restricted expansion. Results for both ground and excited states of azulene
and free base porphyrin are presented.
Received: 16 July 1998 / Accepted: 7 August 1998 / Published online: 19 October 1998 相似文献
263.
T. A. Isaev N. S. Mosyagin A. V. Titov A. B. Alekseyev R. J. Buenker 《International journal of quantum chemistry》2002,88(5):687-690
The correlation calculation of the electronic structure of PbH is carried out with the generalized relativistic effective core potential (GRECP) and multireference single‐ and double‐excitation configuration interaction (MRD‐CI) methods. The 22‐electron GRECP for Pb is used and the outer core 5s, 5p, and 5d pseudospinors are frozen using the level‐shift technique, so only five external electrons of PbH are correlated. A new configuration selection scheme with respect to the relativistic multireference states is employed in the framework of the MRD‐CI method. The [6, 4, 3, 2] correlation spin–orbit basis set is optimized in the coupled cluster calculations on the Pb atom using a recently proposed procedure, in which functions in the spin–orbital basis set are generated from calculations of different ionic states of the Pb atom and those functions are considered optimal that provide the stationary point for some energy functional. Spectroscopic constants for the two lowest‐lying electronic states of PbH (2Π1/2, 2Π3/2) are found to be in good agreement with the experimental data. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002 相似文献
264.
Jonathan D. Woodward 《Journal of solid state chemistry》2005,178(9):2922-2926
The reaction of UO3 and TeO3 with a KCl flux at 800 °C for 3 days yields single crystals of K4[(UO2)5(TeO3)2O5]. The structure of the title compound consists of layered, two-dimensional sheets arranged in a stair-like topology separated by potassium cations. Contained within these sheets are one-dimensional uranium oxide ribbons consisting of UO7 pentagonal bipyramids and UO6 tetragonal bipyramids. The ribbons are in turn linked by corner-sharing with trigonal pyramidal TeO3 units to form sheets. The lone-pair of electrons from the TeO3 groups are oriented in opposite directions with respect to one another on each side of the sheets rendering each individual sheet nonpolar. The potassium cations form contacts with nearby tellurite units and axial uranyl oxygen atoms. Crystallographic data (193 K, MoKα, ): triclinic, space group , , , , α=99.642(1)°, β=93.591(1)°, γ=100.506(1)°, , Z=1,R(F)=4.19% for 149 parameters and 2583 reflections with I>2σ(I). 相似文献
265.
对近年来手性2-氨基-1-苯基乙醇类药物的不对称合成方法进行了总结和概述. 重点介绍了不对称氢化、CBS还原、不对称Henry反应等新方法在2-氨基-1-苯基乙醇类药物如R-沙丁胺醇、R-沙美特罗和D-索他洛尔等合成中的应用. 相似文献
266.
Savinova D. V. Molodkina E. B. Danilov A. I. Polukarov Yu. M. 《Russian Journal of Electrochemistry》2004,40(7):687-694
The formation of an adatom layer on polycrystalline platinum and the three-dimensional nucleation of copper in a copper perchlorate solution are studied by cyclic voltammetry at 0.1 V s–1 while varying potential ranges and by recording potentiostatic current transients. About 0.6 monolayers of copper adatoms are deposited when cycling with anodic limit E
a = 1.35 V, the process is slower than that in an acid sulfate solution. Decreasing E
a accelerates the process (nearly one monolayer forms for E
a = 0.80–0.95 V in a cathodic scan) due to an increased number of active centers (metastable copper oxides) and, probably, to a change in the platinum surface microstructure. Oxygen for copper oxides is presumably supplied by water molecules adsorbed on a monolayer of copper adsorbed atoms and by subsurface oxygen (Oss), which appears on the platinum surface after the destruction of complexes Oss–Pt
n
–ClO4. Both the copper nucleation and the deposit growth accelerate at higher concentrations of copper oxides, which form at low E
a. High cathodic overvoltages decrease the number of active crystallization centers due to reduction or removal of copper oxides. 相似文献
267.
TH型区间值模糊正规子群 总被引:8,自引:1,他引:8
本文在区间值模糊集空间上,引入了幂等区间范数TH,在此基础上,定义了TH型区间值模糊正规子群,并研究了它的一些性质和结构特征,从而拓广了区间值模糊集的理论。 相似文献
268.
In this paper a one-dimensional surplus process is considered with a certain Sparre Andersen type dependence structure under general interclaim times distribution and correlated phase-type claim sizes. The Laplace transform of the time to ruin under such a model is obtained as the solution of a fixed-point problem, under both the zero-delayed and the delayed cases. An efficient algorithm for solving the fixed-point problem is derived together with bounds that illustrate the quality of the approximation. A two-dimensional risk model is analyzed under a bailout type strategy with both fixed and variable costs and a dependence structure of the proposed type. Numerical examples and ideas for future research are presented at the end of the paper. 相似文献
269.
Given a connected undirected graph G, the Degree Preserving Spanning Tree Problem (DPSTP) consists in finding a spanning tree T of G that maximizes the number of vertices that have the same degree in T and in G. In this paper, we introduce Integer Programming formulations, valid inequalities and a Branch-and-cut algorithm for the DPSTP. Reinforced with new valid inequalities, the upper bounds provided by the formulation behind our Branch-and-cut method dominate previous DPSTP bounds in the literature. 相似文献
270.
针对交可约粒度空间中覆盖、基和粒结构的关系,结合偏序关系的哈斯图,给出一种约简粒度空间的方法.另外,通过限定上、下近似算子的取值范围,重新定义了交可约粒度空间上的粗糙集模型,并讨论了其相关性质. 相似文献