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981.
Electrochemical properties of substituted free base meso-tetraphenylporphyrins (H(2)T(o,o'-X)PP, H(2)T(o-X)PP, and H(2)T(p-X)PP, where X = OCH(3), CH(3), H, F, or Cl on the phenyl rings) are examined by cyclic voltammetry. When a substituent is located only at the para position of the meso-phenyl group, the difference between the first and second oxidation potentials (ΔE(ox), i.e., E(2)(ox) - E(1)(ox)), is generally significantly smaller than those of the H(2)TPPs with bulky o,o'-substituents on the phenyl group. This trend is elucidated with density functional theory calculations and attributed mainly to the sterically controlled π-conjugation of the meso-phenyl groups to the central porphyrin ring, rather than the often discussed deformation of porphyrin.  相似文献   
982.
Pt was deposited onto tungsten carbide powders using atomic layer deposition to produce core-shell catalysts for the hydrogen evolution reaction (HER). The Pt loading on these catalysts was reduced nearly ten-fold compared to a bulk Pt catalyst while equivalent HER activities were observed.  相似文献   
983.
We report a novel diindenothieno[2,3-b]thiophene ladder-type hexacyclic arene for constructing a donor-acceptor copolymer PDITTDTBT. A device based on PDITTDTBT:PC(71)BM exhibited a high V(oc) of 0.92 V with an impressive PCE of 5.8%, while a PDITTDTBT:DMPCBA-based device showed an extra high V(oc) of 1.14 V.  相似文献   
984.
The efficiency of small-molecule solar cells critically depends on the match of the junction of the donor and acceptor semiconductors used in these devices to create charged carriers and on the mobility of individual components to transport holes and electrons. In the present study, a 2% efficient bilayer organic solar cell consisting of a p-type semiconductor, pentacene, and an n-type semiconductor, N,N'-diheptyl-3,4,9,10-perylenetetracarboxylic diimide (PTCDI-C(7)), is fabricated. The morphology of PTCDI-C(7) interestingly follows pentacene due to the matched surface energy of these two active layers and the easily deposited PTCDI-C(7) monomers on an inclined plane of the pentacene grains. This condition results in the low trap states in the PTCDI-C(7) film and at the pentacene/PTCDI-C(7) interface for the enhancement of exciton dissociation and carrier transport compared with the photoactive layer comprised of pentacene and N,N-ditridecyl-3,4,9,10-perylenetetracarboxylic diimide (PTCDI-C(13)). The detailed exciton and carrier transport mechanisms are investigated using time-resolved photoluminescence and X-ray diffraction spectroscopy.  相似文献   
985.
A series of metal coordination polymers, [Co2(NB)4(bpp)2(H2O)]·H2O ( 1 ), [Co2(e,e‐trans‐chdc)(e,a‐cis‐chdc)(bpp)2] ( 2 ), [Ni(e,e‐trans‐chdc)(bpp)(H2O)2] ( 3 ), [Ni2(PDA)2(bpp)2(H2O)3]·H2O ( 4 ), and [Ni‐(mBDC)(bpp)] ( 5 ) (NB = 3‐nitrobenzoate anion; bpp = 4,4′‐trimethylene dipyridine; chdc = cyclohexane‐1,4‐dicarboxylate anion; PDA = 1,4‐phenylenediacetate anion; mBDC = 1,3‐benzene dicarboxylate anion), were synthesized from metal ions and organic mixed‐ligands by hydrothermal reactions. The single crystal structure analysis revealed that 1, 3, and 4 were 2D sheets with bilayer (1 and 4) and 2‐fold interpenetrated layers (3), 2 is a 3D binodal (4,5)‐connected framework, and 5 is a 1D chains. The non‐covalent interactions of H‐bonds and π–π stacking caused this conformation of highly cross‐linked networks. Compounds 1‐5 were further characterized by thermal gravimetric analysis, powder X‐ray diffraction, UV‐vis, infrared, and PL spectroscopy.  相似文献   
986.
GeO2 thin films were prepared by sol‐gel method on ITO/Glass substrate. The electrical and optical properties and the microstructures of these films were investigated with special emphasis on the effects of an annealing treatment in ambient air. The films were annealed at various temperatures from 500 °C to 700 °C. Structural analysis through X‐ray diffraction (XRD) and atomic force microscope (AFM) showed that surface structure and morphological characteristics were sensitive to the treatment conditions. The optical transmittance spectra of the GeO2/ITO/Glass were measured using a UV‐visible spectrophotometer. All films exhibited GeO2 (101) orientation perpendicular to the substrate surface where the grain size increased with increasing annealing temperature. The optical transmittance spectroscopy further revealed high transparency (over 70 %) in the wave range 400 – 800 nm of the visible region. At an annealing temperature level of 700 °C, the GeO2 films were found to possess a leakage current density of 1.31×10‐6A/cm2 at an electrical field of 20 kV/cm. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)  相似文献   
987.
The vibrational analysis of allyl mercaptan has vener been published. There are two internal rotors, the SH group and the CH2SH group, in the allyl mercaptan molecule. As in the case of propylene (1), the molecule has only one plane of symmetry (Cs point group) in its most symmetrical configuration (when the thiol group lies in the plane of the vinyl group). However, microwave studies have shown that it exhibits C1 symmetry (2). The infrared and Raman spectra of allyl mercaptan have been investigated in this study. The assignment of its fundamental modes has been made based on C1 symmetry of the molecule.  相似文献   
988.
989.
The pump–probe Raman-induced optical Kerr effect (RIKE) of simple molecular liquids, studied with femtosecond laser pulses, exhibit long lasting beats ascribable to vibrational quantum interference (QI). While energy conservation entails vibrational resonances in RIKE, momentum conservation boils down to wave vector-matching in the pump and probe processes, which calls for the participation of a vibrational excitation wave. The refractive index dispersion around vibrational resonances is intimately related to the focusing angle of the pump (also probe) beam. The larger the focusing angle, the greater the excitation wave number, i.e. the more energetic the vibration in resonance; if the focusing angle is too small, energetic vibrations cannot be observed in vibrational QI, even if energy conservation is fulfilled. If the pump and probe beams are perfectly collimated, then all beams must be collinear in order to conserve momentum.  相似文献   
990.
Macromolecular crystallographic (MX) structure determination at synchrotron radiation sources has the potential to advance significantly through use of X-ray beams of one micron or smaller cross-sections. Recently, the MX Frontiers at the One Micron Scale Workshop explored structural biology scientific opportunities made possible through the use of micro-beams, and anticipated technical challenges for developers of MX beamlines at the National Synchrotron Light Source II (NSLS-II). More than 100 attendees participated in the workshop, which included one-and-a-half days of lectures, discussions, and a semi-formal poster session on July 23–24, 2009, at Brookhaven National Laboratory (BNL).  相似文献   
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