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51.
J. E. Fischer E. Werwa P. A. Heiney 《Applied Physics A: Materials Science & Processing》1993,56(3):193-196
We have used both reflection-geometry and grazing-incidence-geometry X-ray scattering to study thin films of C60 evaporated onto mica substrates via a hot-wall technique. The growth mode yields close-packed C60 planes, which are parallel to the substrate surface and which exhibit out-of-plane correlation lengths of 850 Å. In the film plane the C60 is at best pseudo-epitaxial, with a 0.9° distribution of crystallite orientations, a 450 Å in-plane correlation length, and a 3.7% lattice mismatch, better than obtained by other thin film techniques but far from the accepted definition of single crystal thin film epitaxy. 相似文献
52.
采用基于第一性原理的密度泛函理论研究了四角晶相二氧化铪(t-HfO2)体相及 其(001)表面的原子几何与电子结构.理论计算结果表明,t-HfO2(001)表面不会 产生重构现象.与体相电子结构相比, t-HfO2(001)表面态密度明显高于体相态 密度.其次,表面原子的态密度更靠近费米能级(EF),价带往低能量处移动,并 有表面态产生.计算结果表明了t-HfO2表面禁带宽度明显低于体相的禁带宽度. t-HfO2(001)的表面态产生以及表面禁带宽度减小是由于Hf原子与O原子的配位 数减少,表面原子周围的环境发生变化而引起的.
关键词:
密度泛函理论
2(001)')" href="#">t-HfO2(001)
表面电子结构 相似文献
53.
54.
We employ a first-principles plane wave method with the
relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter
(HGH) scheme in the frame of DFT to calculate
the equilibrium lattice parameters and the thermodynamic properties of
AlB2 compound with hcp structure. The obtained lattice parameters are in
good agreement with the available experimental data and those calculated by
others. Through the quasi-harmonic Debye model, obtained successfully are
the dependences of the
normalized lattice parameters a/a0 and c/c0 on pressure P, the normalized
primitive cell volume V/V0 on pressure P, the variation of the thermal
expansion α with pressure P and temperature T, as well as the Debye
temperature \ThetaD and the heat capacity CV on pressure P and
temperature T. 相似文献
55.
Second-order random wave solutions for interfacial internal waves in N-layer density-stratified fluid 下载免费PDF全文
This paper studies the random internal wave equations describing the density interface displacements and the velocity potentials of N-layer stratified fluid contained between two rigid walls at the top and bottom. The density interface displacements and the velocity potentials were solved to the second-order by an expansion approach used by Longuet-Higgins (1963) and Dean (1979) in the study of random surface waves and by Song (2004) in the study of second- order random wave solutions for internal waves in a two-layer fluid. The obtained results indicate that the first-order solutions are a linear superposition of many wave components with different amplitudes, wave numbers and frequencies, and that the amplitudes of first-order wave components with the same wave numbers and frequencies between the adjacent density interfaces are modulated by each other. They also show that the second-order solutions consist of two parts: the first one is the first-order solutions, and the second one is the solutions of the second-order asymptotic equations, which describe the second-order nonlinear modification and the second-order wave-wave interactions not only among the wave components on same density interfaces but also among the wave components between the adjacent density interfaces. Both the first-order and second-order solutions depend on the density and depth of each layer. It is also deduced that the results of the present work include those derived by Song (2004) for second-order random wave solutions for internal waves in a two-layer fluid as a particular case. 相似文献
56.
High index of refraction via quantum interference in a three-level system of Er^3+-doped yttrium aluminium garnet crystal 下载免费PDF全文
A simple three-level system is proposed to produce high index of refraction with zero absorption in an Er^3+-doped yttrium aluminium garnet (YAG) crystal, which is achieved for a probe field between the excited state 4I13/2 and ground state 4I15/2 by adjusting a strong coherent driving field between the upper excited state 4I11/2 and 4I15/2. It is found that the changes of the frequency of the coherent driving field and the concentration of Er^3+ ions in the YAG crystal can maximize the index of refraction accompanied by vanishing absorption. This result could be useful for the dispersion compensation in fibre communication, laser particle acceleration, high precision magnetometry and so on. 相似文献
57.
The relation between the total variation of classical field theory and the multisymplectic structure is shown. Then the multisymplectic structure and the corresponding multisymplectic conservation of the coupled nonlinear Schrodinger system are obtained directly from the variational principle. 相似文献
58.
P. Nithiananthi 《Solid State Communications》2006,137(8):427-430
The binding energies of a hydrogenic donor both in the parabolic and non-parabolic conduction band model within the effective mass approximation have been computed for the low-dimensional semiconducting systems (LDSS) like quantum well, quantum well wire and quantum dot taking GaAs/AlxGa1−xAs systems as an example. It is observed that the effect of non-parabolicity is not effective when the system goes to lower dimensionality. The diamagnetic susceptibility of a hydrogenic donor impurity has also been computed in these LDSS in the infinite barrier model. Since no theoretical or experimental works on the diamagnetic susceptibility of LDSS are available in the literature, as a realistic case the diamagnetic susceptibility has been computed in the finite barrier model (x=0.3) for a quantum well and the results are discussed in the light of semiconductor-metal transition. 相似文献
59.
Electroactive conducting polymers for corrosion control 总被引:1,自引:0,他引:1
Dennis E. Tallman Geoff Spinks Anton Dominis Gordon G. Wallace 《Journal of Solid State Electrochemistry》2002,6(2):73-84
There is an intensive effort underway to develop new corrosion control coatings for structural metals. In part, this effort
has been motivated by the desire to replace chromium(VI)-containing coatings currently used for corrosion control of iron
and aluminum alloys. Cr(VI) has been shown to be hazardous to the environmental and to human health, and its use in many countries
will be sharply curtailed in the coming years. Electroactive conducting polymers (ECPs) represent a class of interesting materials
currently being explored for use in corrosion control coating systems, possibly as a replacement for Cr(VI)-based coatings.
The electroactivity and the electronic conductivity (or semiconductivity) of ECPs set them apart from traditional organic
coatings. As with chromate, interesting and potentially beneficial interactions of ECPs with active metal alloys such as steel
and aluminum are anticipated, with concomitant alteration of their corrosion behavior. A review of this active research area
will be presented in two parts. Here in Part 1, a general introduction to the topic of corrosion control by ECPs will be presented,
including an overview of corrosion and its control by traditional methods, an introduction to ECPs and their properties, and
a discussion of the processing issues surrounding the use of ECPs as coatings. Part 1 also includes a review of the literature
on the use of ECPs as coatings (or components of coatings) on non-ferrous active metals, principally aluminum and aluminum
alloys, although some work on zinc, copper, silver, titanium and silicon will also be described. In Part 2 of this review
(to be published in the next issue of this journal), the rather extensive literature on the use of ECPs for the corrosion
control of ferrous alloys (steels) will be reviewed.
Electronic Publication 相似文献
60.
Recursive algorithms for the computation of standard deviation and average deviation are derived and their applications in data acquisition are discussed. The relative speeds and accuracies of the two algorithms are compared for synthetic data. The performance of recursive estimation under shot and proportional noise limitations is also described. As an example of the utility of these algorithms, absorbance data with constant confidence intervals are collected regardless of incident and transmitted intensities. The desired precision is specified prior to data acquisition and used to control signal-averaging of the data in real time. 相似文献