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991.
U. Schwingenschlögl C. Schuster 《The European Physical Journal B - Condensed Matter and Complex Systems》2007,60(4):409-411
By means of band structure calculations within the density functional
theory and the generalized gradient approximation, we investigate the
electronic structure of self-organized Pt nanowires on the Ge(001) surface.
In particular, we deal with a novel one-dimensional surface state confined
in the nanowire array and clarify its origin. Due to large Pt contributions,
the novel state is rather a mixed Ge–Pt hybrid state than a confined Ge
surface state. Moreover, we compare our results to data from scanning
tunneling microscopy. 相似文献
992.
The electron paramagnetic resonance parameters, zero-field splittings (ZFSs) b20, b40, b44, b60, b64 and the g factors for Gd3+ on the tetragonal Y3+ site in KY3F10 are theoretically studied from the superposition model for the ZFSs and the approximation formula for the g factor containing the admixture of the ground 8S7/2 and the excited 6L7/2 (L=P, D, F, G) states via the spin-orbit coupling interactions, respectively. By analysing the above ZFSs, the local structure
information for the impurity Gd3+ is obtained, i.e., the impurity-ligand bonding angles related to the four-fold (C4) axis for the impurity Gd3+ center are found to be about 0.6° larger than those for the host Y3+ site in KY3F10. The calculated ZFSs based on the above angular distortion as well as the g factors are in reasonable agreement with the observed values. The present studies on the ZFSs and the local structure would
be helpful to understand the optical and magnetic properties of this material with Gd dopants.
相似文献
993.
严格的速率方程理论得到的总是非马尔可夫的,可是大部分实验都可以用马尔可夫的、即传统的速率常数基础上的反应动力学方程来描述.针对这一问题研究了电子转移过程中的马尔可夫/非马尔可夫特性.以最简单的两态电子转移反应为体系,以其在德拜溶剂中的严格动力学解为标定,采用光谱领域著名的Kubo运动谱窄化线型函数及其特性参数来描述电子转移过程中的马尔可夫/非马尔可夫本质.该马尔可夫特性参数是相干转移耦合与溶剂环境涨落相互影响共同作用的结果,以它为基础说明了大部分实验确实可以通过传统的速率方程来描述,而非马尔可夫速率过程最 相似文献
994.
In this study, a generalized method based upon nonextensive statistics is presented for nucleation and growth processes in a thin layer between two interfaces. It is shown that the presented mathematical model, which uses an index called the entropic index that measures the nonextensivity of the physical system, successfully deals with the nucleation and growth processes, and works better than Johnson–Mehl–Avrami–Kolmogorov model. The presented model also contains Austin–Rickett model as a special case. 相似文献
995.
F. Le Normand C.S. Cojocaru O. Ersen L. Gangloff R. Alexandrescu I. Morjan 《Applied Surface Science》2007,254(4):1058-1066
Iron-based nanoparticles are prepared by a laser-induced chemical vapor deposition (CVD) process. They are characterized as body-centered Fe and Fe2O3 (maghemite/magnetite) particles with sizes ≤5 and 10 nm, respectively. The Fe particles are embedded in a protective carbon matrix. Both kind of particles are dispersed by spin-coating on SiO2/Si(1 0 0) flat substrates. They are used as catalyst to grow carbon nanotubes by a plasma- and filaments-assisted catalytic CVD process (PE-HF-CCVD). Vertically oriented and thin carbon nanotubes (CNTs) were grown with few differences between the two samples, except the diameter in relation to the initial size of the iron particles, and the density. The electron field emission of these samples exhibit quite interesting behavior with a low turn-on voltage at around 1 V/μm. 相似文献
996.
Y.M. Zhao J.Y. Zhang K.W. Liu C.X. Shan B. Yao B.H. Li D.Z. Shen 《Applied Surface Science》2007,253(24):9319-9322
We report the growth of cubic MgxZn1−xO alloy thin films on quartz by electron beam evaporation. It can be found that all the samples have sharp absorption edges by the absorption measurements. X-ray diffraction measurements indicate the MgxZn1−xO films are cubic phase with preferred orientation along the (1 1 1) direction. Energy dispersive spectrometry (EDS) demonstrates that the Mg concentration in MgxZn1−xO films is much higher than the ceramic target used, and the composition can be tuned in a small scope by varying the substrate temperature and the beam electric current. The reasons of this phenomenon are also discussed. 相似文献
997.
The AES, EELS, AFM and resistance measurement investigations have been performed to determine the growth mechanism, electronic structure and resistance-thickness dependence of Co layers on silicon at the thickness range from submonolayer up to several monolayer coverage. These layers were obtained under UHV high-rate deposition with using re-evaporation of Co from a Ta foil. The layer-by-layer growth of Co on Si(1 1 1) with some light segregation of Si has been found on the AES data. An enlarged and reduced concentration of valence electrons in the interface Si layer at the thickness ranges 0-1 Å and in the Co film at d = 1-2 Å has been observed. Resistance measurement of the Co film showed a fast decrease of the resistance down to some value limited by quantum-size effect in accordance with the formation of a two-dimensional Co phase at d = 1-2 Å. 相似文献
998.
Using the RTM/NEGF method, which is a first-principles calculation tool for the quantum transport through nanostructures between electrodes, we study the effects of atomic-scale contacts on the transport properties through single molecules. Electronic states and current-voltage (I-V) characteristics are investigated in various contact conditions with and without single molecules between electrodes. We find that similar nonlinear behaviors appear in the I-V characteristics. Such nonlinear behaviors are determined not only by the HOMO-LUMO electronic states of single molecules between electrodes, but also by the atomic-scale contact conditions. We show that the transitions from tunneling to ballistic regimes affect the I-V characteristics significantly. 相似文献
999.
Osamu Sugino Ikutaro Hamada Minoru Otani Yoshitada Morikawa Tamio Ikeshoji Yasuharu Okamoto 《Surface science》2007,601(22):5237-5240
First-principles molecular dynamics simulations have been carried out for water in contact with Pt(1 1 1) surface. To apply negative bias potential to the water/Pt interface, excess electrons were added to our slab model using the recently developed computational scheme called “effective screening medium (ESM)”. Water molecules located away from the surface reoriented themselves to screen the electric field, but they responded differently near the surface. Water molecules nearest to the surface, forming a distinct layered structure with the hydrogen atom directed to the surface, increased the density with increasing field. On these bases, we discuss microscopic aspects of the electric double layer. 相似文献
1000.
We have developed the mechanically controllable break junction setup with an electrochemical cell (EC-MCBJ) to measure the electric conductance of metal nanowires under electrochemical potential control. The electric conductance of Au nanowires was investigated in 0.1 M Na2SO4 solution using EC-MCBJ. The conductance of the Au nanowires was quantized in units of G0 (=2e2/h), showing clear features in the conductance histogram. The atomic contact with a specific conductance value was kept for >5 s, indicating the relatively high stability of the present EC-MCBJ system. 相似文献