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51.
52.
Consider the relaxation of an integer programming (IP) problem in which the feasible region is replaced by the intersection of the linear programming (LP) feasible region and the corner polyhedron for a particular LP basis. Recently a primal-dual ascent algorithm has been given for solving this relaxation. Given an optimal solution of this relaxation, we state criteria for selecting a new LP basis for which the associated relaxation is stronger. These criteria may be successively applied to obtain either an optimal IP solution or a lower bound on the cost of such a solution. Conditions are given for equality of the convex hull of feasible IP solutions and the intersection of all corner polyhedra. 相似文献
53.
T.M. Huber A. Adamczak J.M. Bailey G.A. Beer J.L. Beveridge B.P. Ellerbusch M.C. Fujiwara R. Jacot-Guillarmod P. Kammel S.K. Kim P.E. Knowles A.R. Kunselman G.J. Lindquist M. Maier V.E. Markushin G.M. Marshall C.J. Martoff G.R. Mason F. Mulhauser A. Olin C. Petitjean T.A. Porcelli J. Woźniak J. Zmeskal 《Hyperfine Interactions》1999,118(1-4):159-161
In recent TRIUMF experiments, a μ- beam is stopped in a solid hydrogen film with a small fraction of T2. The Ramsauer-Townsend (RT) mechanism allows μt to escape into vacuum with a few eV of energy. To study the emission process, an imaging system was used to determine the
position of muon decays. Experimental histograms are in good agreement with a Monte Carlo simulation.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
54.
We say that a subset of Cn is hypoconvex if its complement is the union of complex hyperplanes. We say it is strictly hypoconvex if it is smoothly bounded
hypoconvex and at every point of the boundary the real Hessian of its defining function is positive definite on the complex
tangent space at that point. Let Bn be the open unit ball in Cn.Suppose K is a C∞ compact manifold in ∂B1 × Cn, n > 1, diffeomorphic to ∂B1 × ∂Bn, each of whose fibers Kz over ∂B1 bounds a strictly hypoconvex connected open set. Let K be the polynomialhull of K. Then we show that K∖K is the union of
graphs of analytic vector valued functions on B1. This result shows that an unnatural assumption regarding the deformability of K in an earlier version of this result is
unnecessary. Next, we study an H∞ optimization problem. If pis a C∞ real-valued function on ∂B1× Cn, we show that the infimum γρ = infƒ∈H
∞ (B1)n ‖ρ(z, ƒ (z))‖∞ is attained by a unique bounded ƒ provided that the set (z, w) ∈ ∂B1 × C n|ρ(z, w) ≤ γρ has bounded connected strictly hypoconvex fibers over the circle. 相似文献
55.
T.W. Marshall 《Molecular physics》2013,111(5):847-852
The result of Lee and Yang for the free energy of a square two-dimensional Ising model in a magnetic field of ½iπ is shown to be correct only if the thermodynamic limit is approached through even numbers of lattice sites. Derivations of this result are given by the algebraic (Onsager-Kaufman) method and the fermion operator (Hurst) method. 相似文献
56.
A Computational and Experimental Approach Linking Disorder,High‐Pressure Behavior,and Mechanical Properties in UiO Frameworks 下载免费PDF全文
Claire L. Hobday Ross J. Marshall Colin F. Murphie Jorge Sotelo Tom Richards Dr. David R. Allan Prof. Tina Düren Dr. François‐Xavier Coudert Dr. Ross S. Forgan Dr. Carole A. Morrison Dr. Stephen A. Moggach Dr. Thomas D. Bennett 《Angewandte Chemie (International ed. in English)》2016,55(7):2401-2405
Whilst many metal–organic frameworks possess the chemical stability needed to be used as functional materials, they often lack the physical strength required for industrial applications. Herein, we have investigated the mechanical properties of two UiO‐topology Zr‐MOFs, the planar UiO‐67 ([Zr6O4(OH)4(bpdc)6], bpdc: 4,4′‐biphenyl dicarboxylate) and UiO‐abdc ([Zr6O4(OH)4(abdc)6], abdc: 4,4′‐azobenzene dicarboxylate) by single‐crystal nanoindentation, high‐pressure X‐ray diffraction, density functional theory calculations, and first‐principles molecular dynamics. On increasing pressure, both UiO‐67 and UiO‐abdc were found to be incompressible when filled with methanol molecules within a diamond anvil cell. Stabilization in both cases is attributed to dynamical linker disorder. The diazo‐linker of UiO‐abdc possesses local site disorder, which, in conjunction with its longer nature, also decreases the capacity of the framework to compress and stabilizes it against direct compression, compared to UiO‐67, characterized by a large elastic modulus. The use of non‐linear linkers in the synthesis of UiO‐MOFs therefore creates MOFs that have more rigid mechanical properties over a larger pressure range. 相似文献
57.
Garcia Ruano JL Alcudia A del Prado M Barros D Maestro MC Fernandez I 《The Journal of organic chemistry》2000,65(10):2856-2862
The addition of the lithium anions derived from (R)- and (S)-methyl and -ethyl p-tolyl sulfoxides to (S)-N-benzylidene-p-toluenesulfinamide provides an easy access route to enantiomerically pure beta-(N-sulfinyl)amino sulfoxides. Stereoselectivity can be achieved when the configurations at the sulfur atoms of the two reagents are opposite (matched pair), thus resulting in only one diastereoisomer, even for the case in which two new chiral centers are created. The N-sulfinyl group primarily controls the configuration of the carbon bonded to the nitrogen, whereas the configuration of the alpha-sulfinyl carbanion seems to be responsible for the level of asymmetric induction, as well as for the configuration of the new stereogenic C-SO carbon in the reactions with ethyl p-tolyl sulfoxides. An efficient method for transforming the obtained beta-(N-sulfinyl)amino sulfoxides into optically pure beta-amino alcohols, based on the stereoselective non-oxidative Pummerer reaction, is also reported. 相似文献
58.
Liangxu Lin Liang Huang Chang Wu Yu Gao Naihua Miao Chao Wu Aaron T. Marshall Yi Zhao Jiazhao Wang Jun Chen Shixue Dou Gordon G. Wallace Wei Huang 《Angewandte Chemie (International ed. in English)》2023,62(49):e202315182
The exploration of inexpensive and efficient catalysts for oxygen reduction reaction (ORR) is crucial for chemical and energy industries. Carbon materials have been proved promising with different catalysts enabling 2 and 4e− ORR. Nevertheless, their ORR activity and selectivity is still complex and under debate in many cases. Many structures of these active carbon materials are also chemically unstable for practical implementations. Unlike the well-discussed structures, this work presents a strategy to promote efficient and stable 2e− ORR of carbon materials through the synergistic effect of lattice distortion and H-passivation (on the distorted structure). We show how these structures can be formed on carbon cloth, and how the reproducible chemical adsorption can be realized on these structures for efficient and stable H2O2 production. The work here gives not only new understandings on the 2e− ORR catalysis, but also the robust catalyst which can be directly used in industry. 相似文献
59.
A series of new complexes [(L-L)Pd(Ar)(CF3)] (L-L = dppe, dppp, tmeda; Ar = Ph, p-Tol, C6D5) have been synthesized and fully characterized in solution and in the solid state. Remarkable Ph-X activation (X = I, Cl) by [(dppe)Pd(Ph)(CF3)] (1) has been found to come about to cleanly produce biphenyl and [(dppe)Pd(Ph)(X)]. This reaction does not take place under rigorously anhydrous conditions but in the presence of traces of water it readily occurs, exhibiting an induction period and being zero order in PhI. As shown by mechanistic studies, the role of water is to promote reduction of small quantities of the Pd(II) complex to Pd(0) which activates the Ph-X bond. Subsequent transmetalation to give diphenyl Pd complexes, followed by Ph-Ph reductive elimination give rise to the observed products. The water-induced reduction to catalytically active Pd(0) has been demonstrated to proceed via both the Pd(II)/P(III) to Pd(0)/P(V) redox mechanism and alpha-F transfer, followed by facile hydrolysis of the difluorocarbene to carbonyl, migratory insertion, and reductive elimination of PhC(X)O (X = F, OH, or OOCPh). In the absence of H2O and ArX, the diphosphine-stabilized trifluoromethyl Pd phenyl complexes undergo slow Ph-CF3 reductive elimination under reinforcing conditions (xylenes, 145 degrees C). 相似文献
60.
Improved ion optics for introduction of ions into a 9.4‐T Fourier transform ion cyclotron resonance mass spectrometer 下载免费PDF全文
Yu Chen Nathan K. Kaiser Xibei Dang Yehia M. Ibrahim Randolph V. Norheim Gordon A. Anderson Richard D. Smith Alan G. Marshall 《Journal of mass spectrometry : JMS》2015,50(1):280-284
Enhancements to the ion source and transfer optics of our 9.4 T Fourier transform ion cyclotron resonance (ICR) mass spectrometer have resulted in improved ion transmission efficiency for more sensitive mass measurement of complex mixtures at the MS and MS/MS levels. The tube lens/skimmer has been replaced by a dual ion funnel and the following octopole by a quadrupole for reduced ion cloud radial expansion before transmission into a mass‐selective quadrupole. The number of ions that reach the ICR cell is increased by an order of magnitude for the funnel/quadrupole relative to the tube lens/skimmer/octopole. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献