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81.
Clemens K. Blasius Niklas F. Heinrich Dr. Vladislav Vasilenko Prof. Lutz H. Gade 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(37):16108-16111
A readily activated iron alkyl precatalyst effectively catalyzes the highly enantioselective hydroboration of N-alkyl imines. Employing a chiral bis(oxazolinylmethylidene)isoindoline pincer ligand, the asymmetric reduction of various acyclic N-alkyl imines provided the corresponding α-chiral amines in excellent yields and with up to >99 % ee. The applicability of this base metal catalytic system was further demonstrated with the synthesis of the pharmaceuticals Fendiline and Tecalcet. 相似文献
82.
Prof. Dr. Frank Heinrich Aria Salyapongse Akari Kumagai Dr. Fernando G. Dupuy Karpur Shukla Dr. Anja Penk Prof. Dr. Daniel Huster Prof. Dr. Robert K. Ernst Dr. Anna Pavlova Prof. Dr. James C. Gumbart Prof. Dr. Berthony Deslouches Prof. Dr. Y. Peter Di Prof. Dr. Stephanie Tristram-Nagle 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(28):6247-6256
In the quest for new antibiotics, two novel engineered cationic antimicrobial peptides (eCAPs) have been rationally designed. WLBU2 and D8 (all 8 valines are the d -enantiomer) efficiently kill both Gram-negative and -positive bacteria, but WLBU2 is toxic and D8 nontoxic to eukaryotic cells. We explore protein secondary structure, location of peptides in six lipid model membranes, changes in membrane structure and pore evidence. We suggest that protein secondary structure is not a critical determinant of bactericidal activity, but that membrane thinning and dual location of WLBU2 and D8 in the membrane headgroup and hydrocarbon region may be important. While neither peptide thins the Gram-negative lipopolysaccharide outer membrane model, both locate deep into its hydrocarbon region where they are primed for self-promoted uptake into the periplasm. The partially α-helical secondary structure of WLBU2 in a red blood cell (RBC) membrane model containing 50 % cholesterol, could play a role in destabilizing this RBC membrane model causing pore formation that is not observed with the D8 random coil, which correlates with RBC hemolysis caused by WLBU2 but not by D8. 相似文献
83.
Mathematische Semesterberichte - 相似文献
84.
85.
We study numerically the Riemann problem for a 2 x 2 system of conservation laws with a cubic flux function, a particular case of the class of models introduced by Keyfitz and Kranzer. The system is not strictly hyperbolic, and the classical Lax theory for hyperbolic systems is not directly applicable. Correspondingly, some numerical schemes which are accurate for strictly hyperbolic systems are not well behaved for this example. When they do work, different schemes yield markedly different results for certain data. We explain this effect by observing that, near these data, viscous regularization is non-uniform as the viscosity tends to zero. This fact does not contradict the well-posedness of the hyperbolic model; it does imply that precise control of the viscosity introduced into a computational method is crucial for generating the correct numerical solutions. We examine all of these issues and comment on their implications for similar systems which arise in continuum mechanics. 相似文献
86.
O. Lupan T. Pauporté L. Chow B. Viana L.K. Ono H. Heinrich 《Applied Surface Science》2010,256(6):1895-1907
The development of cost-effective and low-temperature synthesis techniques for the growth of high-quality zinc oxide thin films is paramount for fabrication of ZnO-based optoelectronic devices, especially ultraviolet (UV)-light-emitting diodes, lasers and detectors. We demonstrate that the properties, especially UV emission, observed at room temperature, of electrodeposited ZnO thin films from chloride medium (at 70 °C) on fluor-doped tin oxide (FTO) substrates is strongly influenced by the post-growth thermal annealing treatments. X-ray diffraction (XRD) measurements show that the films have preferably grown along (0 0 2) direction. Thermal annealing in the temperature range of 150-400 °C in air has been carried out for these ZnO thin films. The as-grown films contain chlorine which is partially removed after annealing at 400 °C. Morphological changes upon annealing are discussed in the light of compositional changes observed in the ZnO crystals that constitute the film. The optical quality of ZnO thin films was improved after post-deposition thermal treatment at 150 °C and 400 °C in our experiments due to the reducing of defects levels and of chlorine content. The transmission and absorption spectra become steeper and the optical bandgap red shifted to the single-crystal value. These findings demonstrate that electrodeposition have potential for the growth of high-quality ZnO thin films with reduced defects for device applications. 相似文献
87.
We develop the theory of information-based complexity from a parallel point of view. For a model of computation with p processors, each being capable of arithmetic operations and decisions, we analyze the complexity of function approximation, numerical integration, and solution of Fredholm integral equations. We obtain tight bounds on the complexity, considered as a function of three variables simultaneously: the number of processors, the required precision, and (in the case of approximation and integral equations) the number of points, in which the approximate solution is to be determined. 相似文献
88.
We consider a quadratic eigenvalue problem such that the second order term is a Hermitian matrix of rank r, the linear term is the identity matrix, and the constant term is an arbitrary Hermitian matrix
. Of the n+r solutions that this problem admits, we show at least n-r to be real and located in specific intervals defined by the eigenvalues of A, whence at most 2r are nonreal occuring in possibly repeated conjugate pairs. 相似文献
89.
Viscous profiles of shock waves in systems of conservation laws can be viewed as heteroclinic orbits in associated systems of ordinary differential equations (ODE). In the case of overcompressive shock waves, these orbits occur in multi-parameter families. We propose a numerical method to compute families of heteroclinic orbits in general systems of ODE. The key point is a special parameterization of the heteroclinic manifold which can be understood as a generalized phase condition; in the case of shock profiles, this phase condition has a natural interpretation regarding their stability. We prove that our method converges and present numerical results for several systems of conservation laws. These examples include traveling waves for the Navier-Stokes equations for compressible viscous, heat-conductive fluids and for the magnetohydrodynamics equations for viscous, heat-conductive, electrically resistive fluids that correspond to shock wave solutions of the associated ideal models, i.e., the Euler, resp. Lundquist, equations.
90.
Numerical simulation of exciton dynamics in Cu(2)O at ultra-low temperatures within a potential trap
We have studied theoretically the relaxation behaviour of excitons in cuprous oxide (Cu(2)O) at ultra-low temperatures when excitons are confined within a potential trap by solving numerically the Boltzmann equation. As relaxation processes, we have included in this paper deformation potential phonon scattering, radiative and non-radiative decay and Auger decay. The relaxation kinetics has been analysed for temperatures in the range between 0.3 and 5?K. Under the action of deformation potential phonon scattering only, we find for temperatures above 0.5?K that the excitons reach local equilibrium with the lattice, i.e.?that the effective local temperature is coming down to the bath temperature, while below 0.5?K a non-thermal energy distribution remains. Interestingly, for all temperatures the global spatial distribution of excitons does not reach the equilibrium distribution, but stays at a much higher effective temperature. If we include further a finite lifetime of the excitons and the two-particle Auger decay, we find that both the local and the global effective temperature do not come down to the bath temperature. In the first case we find that a Bose-Einstein condensation (BEC) occurs for all temperatures in the investigated range. Comparing our results with the thermal equilibrium case, we find that BEC occurs for a significantly higher number of excitons in the trap. This effect could be related to the higher global temperature, which requires an increased number of excitons within the trap to observe the BEC. In the case of Auger decay, we do not find a BEC at any temperature due to the local heating of the exciton gas. 相似文献