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111.
112.
Koharudin LM Bonvin AM Kaptein R Boelens R 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2003,163(2):541-235
The high sensitivity of modern NMR instrumentation, in combination with full deuteration, enabled the measurement of long-range NOEs between amide protons in a fully deuterated protein corresponding to distances up to 8A. These are beyond the limit normally observed in protonated samples. Such long-distance NOEs could be observed using long mixing times, which became possible due to reduced spin diffusion and T1 relaxation of the amide protons in the fully deuterated sample. This information was used in combination with secondary structure restraints derived from secondary chemical shifts for structure calculations. With these backbone amide proton NOEs only, a unique fold could be obtained with positional root mean square deviations from the average of 1.30 and 2.25 A for backbone and heavy atoms, respectively. Despite the low density of restraints, no mirror image problems were observed. Addition of sidechain NOE information increased the precision of the ensemble and in particular of the core packing. The structures obtained in this way were close to the published crystal structure. NOE completeness analysis revealed that the cumulative completeness is still more than 80% for an 8.0 A cut-off distance. 相似文献
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115.
Brian N. Figgis Philip A. Reynolds Alexandre N. Sobolev 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):731-734
The crystal structures of the α‐alums rubidium chromium bis(sulfate) dodecahydrate, RbCr(SO4)2·12H2O, and caesium chromium bis[tetraoxoselenate(VI)] dodecahydrate, CsCr(SeO4)2·12H2O, have been determined by X‐ray diffraction at 293 and 12 K. The metal atoms lie on sites and the anions lie on threefold rotation axes. The accurate and extensive data sets lead to much more precise determinations than are available from earlier work, particularly at 12 K. The changes in the atomic displacement parameters between 293 and 12 K correspond to the respective predominances of intermolecular and intramolecular vibrational effects. 相似文献
116.
José M. Arrieta Alexandre N. Carvalho 《Transactions of the American Mathematical Society》2000,352(1):285-310
We prove a local existence and uniqueness theorem for abstract parabolic problems of the type when the nonlinearity satisfies certain critical conditions. We apply this abstract result to the Navier-Stokes and heat equations.
117.
Topological properties of native folds are obtained from statistical analysis of 160 low homology proteins covering the four structural classes. This is done analyzing one, two and three-vertex joint distribution of quantities related to the corresponding network of amino acid residues. Emphasis on the amino acid residue hydrophobicity leads to the definition of their center of mass as vertices in this contact network model with interactions represented by edges. The network analysis helps us to interpret experimental results such as hydrophobic scales and fraction of buried accessible surface area in terms of the network connectivity. Moreover, those networks show assortative mixing by degree. To explore the vertex-type dependent correlations, we build a network of hydrophobic and polar vertices. This procedure presents the wiring diagram of the topological structure of globular proteins leading to the following attachment probabilities between hydrophobic–hydrophobic 0.424(5), hydrophobic-polar 0.419(2) and polar–polar 0.157(3) residues. 相似文献
118.
Karl Joulain Alexandre Loizeau 《Journal of Quantitative Spectroscopy & Radiative Transfer》2007,104(2):208-216
Following Greffet et al. [Coherent emission of light by thermal sources. Nature 2002;416:61-4], we study in this article, the possibility to engineer thermal coherent sources with waveguides. The idea is to rule a grating on a waveguide made of a slice of germanium deposited on a participating media such as glass. The guided waves, thermally excited are coupled to the far field by the grating and increase the system emissivity in certain directions and wavelengths. We numerically compute the diffraction of a plane wave by the grating by a rigorous coupled waves algorithm (RCWA). The reflected, transmitted and absorbed energy calculated allows to obtain the system emissivity by means of the Kirchhoff law. 相似文献
119.
Dupont J Fonseca GS Umpierre AP Fichtner PF Teixeira SR 《Journal of the American Chemical Society》2002,124(16):4228-4229
1-n-Butyl-3-methylimidazolium hexafluorophosphate room-temperature ionic liquid is not only suitable as a medium for the preparation and stabilization of iridium nanoparticles but also ideal for the generation of recyclable biphasic catalytic systems for hydrogenation reactions. Thus, Ir(0) nanoparticles with a mean diameter of 2 nm have been prepared by reduction of Ir(I) dissolved in the ionic liquid with H2. This catalytic solution can be reused several times for the biphasic hydrogenation of olefins under mild reaction conditions. 相似文献
120.
Louis‐Philippe B. Beaulieu Dr. Lucie E. Zimmer Prof. Alexandre Gagnon Prof. André B. Charette 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(46):14784-14791
Herein, we report the enantio‐ and diastereoselective formation of trans‐iodo‐ and trans‐chlorocyclopropanes from α‐iodo‐ and α‐chlorozinc carbenoids by using a dioxaborolane‐derived chiral ligand. The synthetically useful iodocyclopropane building blocks were derivatized by an electrophilic trapping of the corresponding cyclopropyl lithium species or a Negishi coupling to give access to a variety of enantioenriched 1,2,3‐substituted cyclopropanes. The synthetic utility of this method was demonstrated by the formal synthesis of an HIV‐1 protease inhibitor. In addition, the related stereoselective bromocyclopropanation was also investigated. New insights about the relative electrophilicity of haloiodomethylzinc carbenoids are also presented. 相似文献