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991.
Chen-Zhong Yao Hui-Xuan Ma Xi-Sheng Zhang Li-Xin Meng Li-Ping Zhao Ling Tai Yu-Chun Wang Qiao-Juan Gong Ye-Xiang Tong 《Journal of Solid State Electrochemistry》2011,15(6):1193-1199
Magnetic dendrites of Co
x
Pb1−x
were fabricated through potentiostatic electrochemical deposition on Cu substrates in boric acid solution at room temperature.
The as-deposited dendrites were determined by scanning electron microscopy (SEM), X-ray diffraction (XRD), transmission electron
microscopy (TEM), electrodeposition (ED), and energy dispersive X-ray spectroscopy (EDS). SEM results indicate that the Co
x
Pb1−x
dendrites are highly symmetrical in structures. The diameters of the branches are about 50 ~ 200 nm, and the backbones are
continuous with lengths up to about 10 μm. XRD patterns show that the as-deposited dendrites are solid solutions. The annealing
treatment can result in the recrystallization of these metastable alloys into two separate phases. TEM, ED, and EDS results
also reveal that the backbones and the branches of the dendrites are composed of different amounts of cobalt. Magnetic measurements
confirm that the as-deposited Co
x
Pb1−x
dendrites have a softly ferromagnetic behavior, and a small coercive force (about 80 Oe). Also the saturation magnetizations
of the Co
x
Pb1−x
dendrites decrease rapidly with the temperature increasing. 相似文献
992.
Qingyong Meng Hai-Bo Chang Ming-Bao Huang Hua Dong 《Theoretical chemistry accounts》2011,128(3):359-365
The N-loss predissociation mechanisms of the A 2Σ+ (2 2
A′) state of N2O+ to the first and second dissociation limits were studied in the C
s symmetry. The potential energy curves (PECs) and minimum energy crossing points (MECPs) for the C
s states of N2O+ were calculated at the CAS levels. On the basis of our CAS calculation results (CASPT2 energetic results and CASSCF spin
orbit couplings), we suggest two processes for N-loss predissociation mechanisms of A 2Σ+ (2 2
A′) to the first and second limits. The first two steps in the two processes are the same: A 2Σ+ passes through the 2 2
A′/1 4
A″ MECP and then reaches the 1 4
A″ (1 4Σ−) PEC. The 2 2
A′/1 4
A″ MECP has a bent geometry and is slightly higher in energy than the transition state along the 1 4
A″ PEC. Our mechanisms are different from the previously suggested mechanisms (via 1 4Π). 相似文献
993.
Yuan Shang Qikai Li Lingyi Meng Dong Wang Zhigang Shuai 《Theoretical chemistry accounts》2011,129(3-5):291-301
We present recent progresses on applying the theoretical models and computational tools in assessing the performance of organic solar cells, especially the bulk heterojunction solar cells. Both the continuum device model and the dynamic Monte Carlo model are developed to investigate the photocurrent-voltage characteristics based on the exciton and charge carrier dynamics. Insights into key factors influencing the organic photovoltaic performances have been gained from these studies. 相似文献
994.
995.
996.
The intermolecular interactions in C6H6???LiX (X=OH, NH2, F, Cl, Br, NC, CN) complexes are investigated by using second‐order Møller–Plesset perturbation theory (MP2) calculations and quantum theory of “atoms in molecules” (QTAIM) studies, and the role of π electrons is studied in the formation of these benzene‐containing lithium‐bonded complexes. The molecular electrostatic potentials of benzene and LiX determine the geometries of the lithium‐bonded complexes. The electron densities at the lithium bond critical points in the πC6H6???LiX complexes are obviously stronger than those in the σC6H6???LiX complexes, which indicates that the intermolecular interactions in the C6H6???LiX complexes are mainly attributable to π‐type interaction. The topological and energy properties at the lithium bond critical points in both the C6H6???LiX and πC6H6???LiX complexes are linear with the interaction energies, thereby showing the crucial role of the π electrons in the formation of these complexes. Electron localization function (ELF) analysis indicates that the formation of the lithium bonds leads to the reduction of the ELF π‐electron density and volume, and the reduction of the π‐electron volume is linear with the interaction energies with the correction coefficient 0.9949. 相似文献
997.
Wang X Peng KQ Pan XJ Chen X Yang Y Li L Meng XM Zhang WJ Lee ST 《Angewandte Chemie (International ed. in English)》2011,50(42):9861-9865
Nanowire solar cells: Pt nanoparticle (PtNP) decorated C/Si core/shell nanowire photoelectrochemical solar cells show high conversion efficiency of 10.86 % and excellent stability in aggressive electrolytes under 1-sun AM 1.5 G illumination. Superior device performance is achieved by improved surface passivation of the nanowires by carbon coating and enhanced interfacial charge transfer by PtNPs. 相似文献
998.
Charge separation in excited states upon visible light absorption is a central process in photovoltaic solar cell applications. Employing state-of-the-art first principles calculations based on time-dependent density functional theory (TDDFT), we simulate electron-hole dynamics in real time and illustrate the microscopic mechanism of charge separation at the interface between organic dye molecules and oxide semiconductor surfaces in dye-sensitized solar cells. We found that electron-hole separation proceeds non-adiabatically on an ultrafast timescale <100 fs at an anthocyanin/TiO(2) interface, and it is strongly mediated by the vibrations of interface Ti-O bonds, which anchor the dye onto the TiO(2) surface. The obtained absorption spectrum and electron injection timescale agree with experimental measurements. 相似文献
999.
Cheng-Kang Wu · Hai-Xing Wang · Xian Meng · Xi Chen · Wen-Xia PanInstitute of Mechanics Chinese Academy of Sciences Beijing China School of Astronautics Beijing University of Aeronautics Astronautics Beijing China Department of Engineering Mechanics Tsinghua University Beijing China 《Acta Mechanica Sinica》2011,27(2):152-163
The aerodynamic aspects of indirect thrust measurement by the impulse method have been studied both experimentally and numerically. The underlying basic aerodynamic principle is outlined, the phenomena in subsonic, supersonic and arc-heated jets are explored, and factors affecting the accuracy of the method are studied and discussed. Results show that the impulse method is reliable for indirect thrust measurement if certain basic requirements are met, and a simple guideline for its proper application is given. 相似文献
1000.
In this paper, a delayed pest control model with stage-structure for pests by introducing a constant periodic pesticide input and harvesting prey (Crops) at two different fixed moments is proposed and analyzed. We assume only the pests are affected by pesticide. We prove that the conditions for global asymptotically attractive ??predator-extinction?? periodic solution and permanence of the population of the model depend on time delay, pulse pesticide input, and pulse harvesting prey. By numerical analysis, we also show that constant maturation time delay, pulse pesticide input, and pulse harvesting prey can bring obvious effects on the dynamics of system, which also corroborates our theoretical results. We believe that the results will provide reliable tactic basis for the practical pest management. One of the features of present paper is to investigate the high-dimensional delayed system with impulsive effects at different fixed impulsive moments. 相似文献