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301.
The structure of the fix bundle free automorphism groups of inversive planes of odd order is determined. As a special case of our main result, the automorphism groups with a transitive action on the points of an inversive plane of odd order are essentially determined, and the plane is shown to be miquelian when these have no non-trivial normal subgroups of odd order. 相似文献
302.
303.
Giuliano Alagona Caterina Ghio Alessandro Giolitti Susanna Monti 《Theoretical chemistry accounts》1999,101(1-3):143-150
Several histidine-tryptophan complexes (either stacked or T-shaped), derived from the crystal structures available in the
Brookhaven Protein Data Bank, have been examined with molecular mechanics (MM), using the Tripos force field with Gasteiger-Hückel
charges, whose trend was found to be analogous to the AMBER or CHARMM ones. The MM results were compared to the ab initio
MP2 results, with and without counterpoise (CP) correction, previously obtained using extended basis sets on 5-methylimidazole
and indole as model systems. MM seems to underestimate the interaction energy between the two monomers when compared to the
uncorrected MP2 results, while the agreement is much better after including the CP correction at the MP2 level in all cases.
MM was thus used to qualitatively analyse the dependence of the stacking energy on the ring rotation at a variable distance
and ring centroid displacement for these systems, while keeping the rings in parallel planes. An analogous study was carried
out for a T-shaped adduct.
Received: 24 March 1998 / Accepted: 3 September 1998 / Published online: 1 February 1999 相似文献
304.
Flavio Ceretta Alessandro Zaggia Lino Conte Bruno Ameduri 《Journal of polymer science. Part A, Polymer chemistry》2013,51(15):3202-3212
4′‐Nonafluorobutylstyrene (3) was synthesized and polymerized by conventional and controlled radical polymerization (iodine transfer polymerization (ITP)). Such an aromatic fluoromonomer was prepared from Ullmann coupling between 1‐iodoperfluorobutane and 4‐bromoacetophenone followed by a reduction and a dehydration in 50% overall yield. Two radical polymerizations of (3) were initiated by AIBN either under conventional or controlled conditions, with 1‐iodoperfluorohexane in 84% monomer conversion and in 50% yield. ITP of (3) featured a fast monomer conversion and a linear evolution of the ln([M]0/[M]) versus time. The kinetics of radical homopolymerization of (3) enabled one to assess its square of the propagation rate to the termination rate (kp2/kt) in ITP conditions (36.2·10?2 l·mol?2·sec?2 at 80 °C) from the Tobolsky's kinetic law. Polydispersity index (?) of the fluoropolymer achieved by conventional polymerization was 1.30 while it worthed 1.15 when synthesized by ITP. Thermal stabilities of these oligomers were satisfactory (10% weight loss under air occurred from 305 °C) whereas the melting point was 47 °C. Contact angles and surface energies assessed from spin‐coated poly(3) films obtained by conventional (hysteresis = 18°, surface energy 18 mN.m?1) and ITP (hysteresis = 47°, surface energy 15 mN.m?1) evidenced ? values' influence onto surface properties of the synthesized polymers. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 3202–3212 相似文献
305.
In the late sixties the Canadian psychologist Laurence J. Peter advanced an apparently paradoxical principle, named since then after him, which can be summarized as follows: ‘Every new member in a hierarchical organization climbs the hierarchy until he/she reaches his/her level of maximum incompetence’. Despite its apparent unreasonableness, such a principle would realistically act in any organization where the mechanism of promotion rewards the best members and where the competence at their new level in the hierarchical structure does not depend on the competence they had at the previous level, usually because the tasks of the levels are very different to each other. Here we show, by means of agent based simulations, that if the latter two features actually hold in a given model of an organization with a hierarchical structure, then not only is the Peter principle unavoidable, but also it yields in turn a significant reduction of the global efficiency of the organization. Within a game theory-like approach, we explore different promotion strategies and we find, counterintuitively, that in order to avoid such an effect the best ways for improving the efficiency of a given organization are either to promote each time an agent at random or to promote randomly the best and the worst members in terms of competence. 相似文献
306.
307.
A novel state-space form for studying transverse vibrations of double-beam systems, made of two outer elastic beams continuously joined by an inner viscoelastic layer, is presented and numerically validated. As opposite to other methods available in the literature, the proposed technique enables one to consider (i) inhomogeneous systems, (ii) any boundary conditions and (iii) rate-dependent constitutive law for the inner layer. The formulation is developed by means of Galerkin-type approximations for the fields of transverse displacements in the system. Numerical examples demonstrate that the proposed approach is accurate and versatile, and lends itself to be used for both frequency- and time-domain analyses. 相似文献
308.
309.
Received May 29, 2000 / Published online June 1, 2001 相似文献
310.
Dr. Yuexia Wang Dr. Giovanni Barcaro Dr. Fabio R. Negreiros Dr. Thierry Visart de Bocarmé Dr. Mathieu Moors Dr. Norbert Kruse Dr. Marc Hou Dr. Alessandro Fortunelli 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(1):406-413
Carbon adsorption on various Ni surfaces is investigated as a function of coverage via a combination of first‐principles simulations and field emission microscope experiments. It is found that carbon can be efficiently stored as subsurface carbides, but with different energetics on differently oriented surfaces depending on their compactness and density of adsorption sites. In the resulting morphological reshaping, {113} facets are predicted to grow at the expense of {111} and {100} facets, in excellent agreement with experimental observations. Moreover, at high coverage on the {113} surface the carbon adsorption energy passes through a maximum after which a structural crossover is realized such that carbon atoms tend to ascend to the surface to form one‐dimensional chains (which are the precursors of graphitic nanostructures). This rationalizes the experimental observation of an incubation time between carbon storage and the beginning of catalytic growth, and provides insight into the early stages (nucleation mechanism) of carbon nanotubes on Ni nanoparticles. 相似文献