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101.
Miller RI Kiefl RF Brewer JH Sonier JE Chakhalian J Dunsiger S Morris GD Price AN Bonn DA Hardy WH Liang R 《Physical review letters》2002,88(13):137002
Evidence for static alternating magnetic fields in the vortex cores of underdoped YBa2Cu3O6+x is reported. Muon spin rotation measurements of the internal magnetic field distribution of the vortex state of YBa2Cu3O6.50 in applied fields of H = 1 T and H = 4 T reveal a feature in the high-field tail of the field distribution which is not present in optimally doped YBa2Cu3O6.95 and which fits well to a model with static magnetic fields in the vortex cores. The magnitude of the fields is estimated to be 18(2) G and decreases above T = 10 K. We discuss possible origins of the additional vortex core magnetism within the context of existing theories. 相似文献
102.
Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4 总被引:17,自引:0,他引:17
Garrett M. Morris David S. Goodsell Ruth Huey Arthur J. Olson 《Journal of computer-aided molecular design》1996,10(4):293-304
Summary AutoDock 2.4 predicts the bound conformations of a small, flexible ligand to a nonflexible macromolecular target of known structure. The technique combines simulated annealing for conformation searching with a rapid grid-based method of energy evaluation based on the AMBER force field. AutoDock has been optimized in performance without sacrificing accuracy; it incorporates many enhancements and additions, including an intuitive interface. We have developed a set of tools for launching and analyzing many independent docking jobs in parallel on a heterogeneous network of UNIX-based workstations. This paper describes the current release, and the results of a suite of diverse test systems. We also present the results of a systematic investigation into the effects of varying simulated-annealing parameters on molecular docking. We show that even for ligands with a large number of degrees of freedom, root-mean-square deviations of less than 1 Å from the crystallographic conformation are obtained for the lowest-energy dockings, although fewer dockings find the crystallographic conformation when there are more degrees of freedom.The AutoDock 2.4 suite is written in ANSI C, and is supplied with Makefiles for the following platforms: Convex, DEC Alpha OSF/1, Hewlett-Packard Precision Architecture, Silicon Graphics, and Sun. The AutoDock suite of programs is freely available to the noncommercial scientific community and to educational establishments. Further information, including additional figures and MPEG animations showing all docked conformations for each test system, can be found at the following URL: http://www.scripps.edu/pub/olson-web/doc/autodock. 相似文献
103.
It is shown in this paper that if A is a closed normal subgroup of kω-topological groups G and H, then the free product of G and H with A amalgamated, G1AH, exists, is Hausdorff and indeed a kω-group. 相似文献
104.
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107.
Carolyn E. M. Morris A. E. Alexander A. G. Parts 《Journal of polymer science. Part A, Polymer chemistry》1966,4(5):985-995
The polymerization of methyl acrylate in water and in dilute, aqueous, soap solutions, initiated by potassium peroxydisulfate, has been investigated, a dilatometric method being used to follow the conversion. It has been shown that small amounts of an anionic soap increase the rate of reaction while a cationic soap has the reverse effect. The change of molecular weight with conversion has also been examined as well as the effect of the exclusion of oxygen from the system. 相似文献
108.
The application of a dissipative Galerkin scheme to the numerical solution of the Korteweg de Vries (KdV) and Regularised Long Wave (RLW) equations, is investigated. The accuracy and stability of the proposed schemes is derived using a localised Fourier analysis. With cubic splines as basis functions, the errors in the numerical solutions of the KdV equation for different mesh-sizes and different amounts of dissipation is determined. It is shown that the Galerkin scheme for the RLW equation gives rise to much smaller errors (for a given mesh-size), and allows larger steps to be taken for the integrations in time (for a specified error tolerance). Also, the interaction of two solitons is compared for the KdV and RLW equations, and several differences in their behaviour are found. 相似文献
109.
Morris James F. 《IEEE transactions on plasma science. IEEE Nuclear and Plasma Sciences Society》1978,6(2):180-190
The NASA program for applied research and technology (ART) in thermionic energy conversion (TEC) comprises in-house, university-grant, and industrial-contract studies. In a few years this TEC-ART program has produced important results. Although many of these accomplishments are incremental, their integration has yielded performance gains and the knowledge necessary to direct future work. The current emphasis on out-of-core thermionics allows materials and designs previously prohibited by in-core nucleonics and geometrics. The additional degrees of freedom offer new potentialities. But as always high-temperature material effects will determine the level and lifetime of TEC performance: New electrodes must not only raise power outputs but also maintain them regardless of emitter-vapor deposition on collectors. In addition effective electrodes must serve compatibly with hot-shell alloys. Then, of course, space TEC must withstand external and internal high-temperature vaporization problems. And terrestrial TEC must tolerate hot corrosive atmospheres outside and near-vacuum inside. Finally reduction of losses between converter electrodes is essential even though rather demanding geometrics appear to be required for some modes of enhanced operation. In these and other areas from basic material characterizations to possible system definitions, significant progress is being made in the NASA TEC-ART Program. 相似文献
110.
J. G. Morris 《The Journal of the Operational Research Society》1973,24(3):419-435
The problem of locating new facilities with respect to existing facilities is stated as a linear programming problem where inter-facility distances are assumed to be rectangular. The criterion of location is the minimization of the maximum weighted rectangular distance in the system. Linear constraints which (a) limit the new facility locations and (b) enforce upper bounds on the distances between new and existing facilities and between new facilities can be included. The dual programming problem is formulated in order to provide for an efficient solution procedure. It is shown that the duLal variables provide information abouLt the complete range of new facility locations which satisfy the minimax criterion. 相似文献