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121.
In this article a matrix method for the construction of spin multiplets (spinconfigurations) is suggested in order to solve the multielectron problem for atoms and mulecules by means of configuration interaction.A simple graphical way is given to enumerate configurations and to break their set into subsets of configurations related to the given projection of the total spin of a system S
z
. It is found that all matrices in the theory of spin multiplets are convex and in cases of two, three, and four electrons are broken into blocks of an order no higher than 3.The model of the solution of the multielectron Schrödinger equation, in which the total spin of core electrons is zero, is considered. In this model the construction of linear combinations of configurations is reduced to the construction of those for but valence electrons. 相似文献
122.
The formal insertions of carbon dioxide into a series of methylzinc dialkylamide complexes (MeZnNR(2)) initially form solvent-free, tetrameric zinc carbamato complexes [Me(4)Zn(4)(O(2)CNR(2))(4)] (NR(2) = N(i-Pr)(2) (1), N(i-Bu)(2) (2), and piperidinyl (3)). These compounds have been characterized by traditional techniques as well as by single-crystal X-ray diffraction analyses. The tetrameric backbones seen in the solid state for 1-3 were structurally similar to each other. Addition of excess pyridine (py) to 1-3 breaks apart the tetramers and converts them into solvated dimeric species [Me(2)Zn(2)(O(2)CNR(2))(2)(py)(2)] (NR(2) = N(i-Pr)(2) (4), N(i-Bu)(2) (5), and piperidinyl (6)). X-ray crystallographic analyses of 4 and 5 confirmed the dimeric structure in the solid state. This study significantly increases the number of well-characterized zinc carbamates prepared via CO(2) insertion into zinc amides. 相似文献
123.
Sundararaman A Zakharov LN Rheingold AL Jäkle F 《Chemical communications (Cambridge, England)》2005,(13):1708-1710
The unsupported organocopper pyridine complexes C6F5Cu(py) (2) and [C6F5Cu]2(4,4'-bipy) (3) form supramolecular structures that are unprecedented in organocopper chemistry; one-dimensional chains of copper atoms with Cu...Cu distances of 2.8924(3) angstroms in the blue-luminescent complex are likely associated with cuprophilic interactions, whereas multiple perfluoroarene-arene interactions dominate in the supramolecular assembly of 3. 相似文献
124.
Lev Bukovsky Krzysztof Ciesielski 《Proceedings of the American Mathematical Society》2005,133(2):605-611
A topological space is a -space provided that, for every sequence of continuous functions from to , if the series converges pointwise, then it converges pseudo-normally. We show that every regular Lindelöf -space has the Rothberger property. We also construct, under the continuum hypothesis, a -subset of of cardinality continuum.
125.
Production of single mesons and opposite side pairs of mesons in hadron-nucleus and nucleusnucleus collisions are calculated in the framework of the QCD parton model, with the assumption that quarks and gluons undergo multiple scattering in the nucleus. A comparison with all available data is made. It is also shown that the anomalous nuclear enhancement, especially its dependence on the flavour, can be quantitatively described within the model. Furthermore, we predict no enhancement for symmetric pairs as it seems to be indicated by the data. Predictions for largep T production in α?α scattering at ISR are made. 相似文献
126.
We investigate the force acting between two parallel plates held at different temperatures. The force reproduces, as limiting cases, the well-known Casimir-Lifshitz surface-surface force at thermal equilibrium and the surface-atom force out of thermal equilibrium recently derived by M. Antezza et al., Phys. Rev. Lett. 95, 113202 (2005)10.1103/PhysRevLett.95.113202. The asymptotic behavior of the force at large distances is explicitly discussed. In particular when one of the two bodies is a rarefied gas the force is not additive, being proportional to the square root of the density. Nontrivial crossover regions at large distances are also identified. 相似文献
127.
Ignat'eva DV Goryunkov AA Tamm NB Ioffe IN Avdoshenko SM Sidorov LN Dimitrov A Kemnitz E Troyanov SI 《Chemical communications (Cambridge, England)》2006,(16):1778-1780
Two isomers of C70(CF3)12 have been isolated from a mixture obtained by trifluoromethylation of C70 with CF3I; their molecular structures determined by X-ray crystallography are in good agreement with the results of theoretical DFT calculations for the most stable C70(CF3)12 isomers. 相似文献
128.
Nikolai G. Khlebtsov Lev A. Dykman 《Journal of Quantitative Spectroscopy & Radiative Transfer》2010,111(1):1-2047
Nanoparticle plasmonics is a rapidly emerging research field that deals with the fabrication and optical characterization of noble metal nanoparticles of various size, shape, structure, and tunable plasmon resonances over VIS-NIR spectral band. The recent simultaneous advances in synthesis, characterization, electromagnetic simulation, and surface functionalization of plasmonic nanoparticles by biospecific molecular probes have led to a perfect publication storm in discoveries and potential biomedical applications of plasmon-resonant nanoparticle bioconjugates. Here, we present an overview of these topics. First, we discus basic wet-chemical routes to fabricate conjugates of gold, silver, or composite particles with controllable size, shape, structure and with surface functionalization by biospecific molecules. Second, we consider the single-particle dipole and multipole optics and coupled plasmonic nanoparticle arrays. Finally, we discus application of plasmonic bioconjugates to such fields as homogeneous and solid-phase assays, biomedical sensing and imaging, biodistribution and toxicity aspects, drug delivery and plasmonic photothermal therapy. 相似文献
129.
Fink JM Steffen L Studer P Bishop LS Baur M Bianchetti R Bozyigit D Lang C Filipp S Leek PJ Wallraff A 《Physical review letters》2010,105(16):163601
The quantum properties of electromagnetic, mechanical or other harmonic oscillators can be revealed by investigating their strong coherent coupling to a single quantum two level system in an approach known as cavity quantum electrodynamics (QED). At temperatures much lower than the characteristic energy level spacing the observation of vacuum Rabi oscillations or mode splittings with one or a few quanta asserts the quantum nature of the oscillator. Here, we study how the classical response of a cavity QED system emerges from the quantum one when its thermal occupation-or effective temperature-is raised gradually over 5 orders of magnitude. In this way we explore in detail the continuous quantum-to-classical crossover and demonstrate how to extract effective cavity field temperatures from both spectroscopic and time-resolved vacuum Rabi measurements. 相似文献
130.
We prove that there exists an absolute constant c > 0 such that for any finite set A ⊆ ℤ with |A| ≥ 2 and any positive integer m < c|A|/ ln |A| there are at most m integers b > 0 satisfying |(A + b) \ A| ≤ m; equivalently, there are at most m positive integers possessing |A| −m (or more) representations as a difference of two elements of A. 相似文献