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21.
The (1 1 1) face is the cleavage surface of diamond. Understanding its properties is very important for the growing technological interest on the chemistry of diamond surfaces. Within DFT the most stable reconstruction is the Pandey chain model, the atoms on the chain being neither buckled nor dimerised. However this geometry gives rise to a semi metallic band structure in contrast with experimental findings that show the presence of a gap ranging from 0.5 to 2 eV. Here we show that the same equilibrium geometry and thus the same metallic band structure is found relaxing the surface using screened exchange (sX) or Hartree-Fock (HF) functionals. We will discuss in detail how breaking the equivalence of the atoms on the chain affects the band structure and we will show that a buckling would yield a semiconducting surface, but is energetically unfavorable. A semiconducting character can be restored, within the equilibrium geometry, if quasiparticle corrections are carefully included within an iterative GW scheme. The result of the theoretical reflectance anisotropy spectra (RAS) at a DFT-RPA level are also presented and discussed. As expected, a strong anisotropy signal is found at low energies due to transitions between surface states inside the fundamental gap. 相似文献
22.
An Approximated Solution of the Einstein Equations for a Rotating Body with Negligible Mass 总被引:1,自引:0,他引:1
A. Tartaglia 《General Relativity and Gravitation》2003,35(3):371-387
The paper considers the problem of finding the metric of space time around a rotating, weakly gravitating body. Both external and internal metric tensors are consistently found, together with an appropriate source tensor. All tensors are calculated at the lowest meaningful approximation in a power series. The two physical parameters entering the equations (the mass and the angular momentum per unit mass) are assumed to be such that the mass effects are negligible with respect to the rotation effects. A non zero Riemann tensor is obtained. The order of magnitude of the physical effects is discussed. 相似文献
23.
使用Gaussian03程序包,采用单双取代耦合簇(CCSD)方法,选择基组6-311+g(2df)、6-311++g(3df,3pd)分别对B2及NaB和Na2分子的基态进行优化计算,运用最小二乘法拟合得到B2、NaB和Na2分子势能函数,给出与实验值符合很好的光谱常数;选择6-31++g(3df,3pd)基组,对NaB2和Na2B分子的结构进行优化计算.在此基础上,采用多体项展式法,得到NaB2和Na2B分子基态解析势能函数.势能面静态特征表明,该势能函数准确再现了NaB2和Na2B分子基态平衡结构. 相似文献
24.
应用分析力学理论和方法,研究了两种情况下的阻尼落体运动:1)阻力大小与速度成正比;2)阻力大小与速度平方成正比.对两种运动分别给出了等效的Lagrange函数和Hamilton函数,并应用第一积分法、点变换法、正则变换法和Ham-ilton-Jacobi方程法等不同的求解方法进行了求解. 相似文献
25.
26.
气垫导轨在刚体转动惯量测定实验中的应用 总被引:1,自引:0,他引:1
本文介绍了一种测量刚体转动惯量的新方法。即把气垫导轨和刚体转动仪结合起来来测量刚体的转动惯量,使传统的气垫导轨实验和刚体转动惯量测定实验得以更新,提高了实验测量的精度,拓展了实验内容。 相似文献
27.
基于直流电子枪-超导加速腔(DC-SC)光阴极注入器样机的初步实验结果,北京大学提出了新的注入器的改进设计。新注入器核心结构包括皮尔斯枪和3+1/2超导腔。文章给出了它们的详细结构参数,然后采用程序,对注入器的束流动力学进行了模拟。结果发现:新注入器可以提供具有高束流品质、高平均流强的电子束,束团的电荷量100 pC,横向发射度低于2 mm·mrad,脉宽5 ps,rms束斑可达0.5 mm,重复频率81.25 MHz;也可以提供电荷量为300 pC低重复频率的高峰值流强的电子束,其横向发射度小于3 mm·mrad,脉宽约为9 ps,以满足北京大学自由电子激光(PKU-FEL)实验平台的要求。 相似文献
28.
C. Baumgarten B. Braun G. Court G. Ciullo P. Ferretti G. Graw W. Haeberli M. Henoch R. Hertenberger N. Koch H. Kolster P. Lenisa A. Nass S.P. Pod'yachev D. Reggiani K. Rith M.C. Simani E. Steffens J. Stewart T. Wise 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(1):37-49
The use of storage cells has become a standard technique for internal gas targets in conjunction with high energy storage
rings. In case of spin-polarized hydrogen and deuterium gas targets the interaction of the injected atoms with the walls of
the storage cell can lead to depolarization and recombination. Thus the number of wall collisions of the atoms in the target
gas is important for modeling the processes of spin relaxation and recombination. It is shown in this article that the diffusion
process of rarefied gases in long tubes or storage cells can be described with the help of the one-dimensional diffusion equation.
Mathematical methods are presented that allow one to calculate collision age distributions (CAD) and their moments analytically.
These methods provide a better understanding of the different aspects of diffusion than Monte Carlo calculations. Additionally
it is shown that measurements of the atomic density or polarization of a gas sample taken from the center of the tube allow
one to determine the possible range of the corresponding density weighted average values along the tube. The calculations
are applied to the storage cell geometry of the HERMES internal polarized hydrogen and deuterium gas target.
Received 9 July 2001 and Received in final form 18 September 2001 相似文献
29.
The equation of motion dM/dt=γ M×B(t) is solved for the case B(t)=jBp(t)+kBe. The field Be is a small static field, typically the earth’s field. The field Bp(t) decays exponentially toward zero with time constant T. This decay is produced by an overdamped switching transient that occurs near the end of the rapid cutoff of the coil current used to polarize the sample. It is assumed that Bp is initially large compared to Be, and that magnetization M is initially along the resultant field B. Exact solutions are obtained numerically for several decay time constants of Bp, and the motion of M is depicted graphically. It is found that for adiabatic passage, the final cone angle β of the precession in field Be is related to the decay time constant of Bp by β=2e−(π/2)ωeT. This is confirmed by measurements of the amplitudes of the ensuing free-precession signals for various decay rates of Bp. Near-perfect adiabatic passage (magnetization aligned within 2° of the earth’s field) can be achieved for time constants T2.6/ωe. For the case of sudden passage, an approximate analytic solution is developed by linearizing the equation of motion in the laboratory frame of reference. For the adiabatic case, an approximate analytic solution is obtained by linearizing the equation of motion in a rotating frame of reference that follows the resultant field B=Bp+Be. 相似文献
30.
We investigate the change in the calculated value of asymptotic normalization constant (ANC) by the hyperspherical harmonics
expansion method with the inclusion of three nucleon force (3BF) in addition to two nucleon force. We see that ANC does not
change very much with the inclusion of 3BF indicating that the 3BF does not alter the asymptotic behaviours of HHE wavefunction
significantly. 相似文献