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21.
Wolfgang H. Binder Laura Petraru Robert Sachenshofer Ronald Zirbs 《Monatshefte für Chemie / Chemical Monthly》2006,137(7):835-841
Summary. The surface modification of nanoparticles via azide/alkine-1,3-dipolar cycloaddition-reactions is described. Ligand exchange onto various nanoparticles was monitored by
1H NMR spectroscopy and formed the basis for the attachment of ligands onto the nanoparticles and their subsequent modification
by dipolar cycloaddition reactions. Nanoparticle-surfaces were monitored by binding onto self-assembled monolayers derivatized
with matching supramolecular interactions after derivatization. 相似文献
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The analogue of the Edwards-Anderson model for isotropic vector spin glasses, but taking three-component quadrupoles instead of spins at each lattice site, is studied on the square lattice with extensive Monte Carlo calculations, using a nearest-neighbor symmetric gaussian interaction.It is shown that at low temperaturesT the model develops a short range order both with respect to glass like correlations and with respect to ferromagnetic correlations among the quadrupoles. The associated correlation lengths and susceptibilities diverge asT0, and the critical exponents for this zero-temperature phase transition are estimated.Dynamic correlation functions are analyzed as well and it is shown that the dacay of spatially displaced correlations displays a Kohlrausch-Williams-Watts behavior similar to the self-correlation function of the quadrupole moments.Some quantities are compared to their corresponding counterparts on the threedimensional simple cubic lattice, which also has a zero-temperature transition but at corresponding temperatures has stronger short-range-order. 相似文献
25.
Magnetic properties of the Heisenberg antiferromagnet with spin quantum numberS on the face-centered cubic lattice are studied as function of temperature and magnetic field, using molecular field approximation and Monte Carlo methods. In order to model Europiumtelluride, we use isotropic exchange interactions between nearest- and nextnearest neighbors; the values of these exchange constants are taken from experiments. In addition, a pseudo-dipolar anisotropy (truncated after the next-nearest neighbor distance) is included; the molecular field calculations also are performed with the full dipolar of real EuTe in two respects: the structure in zero magnetic field involves 8 sublattices in the model rather than only two; the bicritical point, above which in the temperatureT magnetic fieldH plane the spin flop phase appears, occurs atH=0 in the model rather than at nonzero field. Possible additional interactions responsible for these discrepancies are discussed. Applying finite size scaling techniques we give also a preliminary analysis of the critical behavior of the model. 相似文献
26.
Ab initio molecular orbital theory including full geometry optimization at the 4-31G level is used to examine the interactions between substitutents X(X = Li, BeH, BH2, CH3, NH2, OH and F) and substrates Y(Y = NH3+, CH3, BH3?) in the isoelectronic series XNH3+, XCH3 and XBH3?. The results indicate that the interaction energies are dominated by σ-effects. NH3+ is found to interact favorably with the σ-donors (e.g. Li, BeH and BH2) and unfavorably with the σ-acceptors (e.g. F, OH, NH2). The reverse pattern a observed for XBH3?. The range of interaction energies for XCH3 is considerably smaller than for XNH3+ and XBH3?. 相似文献
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The percolation transition of geometric clusters in the three-dimensional, simple cubic, nearest neighbor Ising lattice gas model is investigated in the temperature and concentration region inside the coexistence curve. We consider quenching experiments, where the system starts from an initially completely random configuration (corresponding to equilibrium at infinite temperature), letting the system evolve at the considered temperature according to the Kawasaki spinexchange dynamics. Analyzing the distributionn
l(t) of clusters of sizel at timet, we find that after a time of the order of about 100 Monte Carlo steps per site a percolation transition occurs at a concentration distinctly lower than the percolation concentration of the initial random state. This dynamic percolation transition is analyzed with finite-size scaling methods. While at zero temperature, where the system settles down at a frozen-in cluster distribution and further phase separation stops, the critical exponents associated with this percolation transition are consistent with the universality class of random percolation, the critical behavior of the transient time-dependent percolation occurring at nonzero temperature possibly belongs to a different, new universality class. 相似文献
29.
Albrecht H Binder U Harder G Lembke-Koppitz I Philipp A Schmidt-Parzefall W Schröder H Schulz HD Wurth R Donker JP Drescher A Matthiesen U Scheck H Spaan B Spengler J Wegener aD Gabriel JC Schubert KR Stiewe J Waldi R Weseler S Brown NN Edwards KW Frisken WR Fukunaga C Gilkinson DJ Gingrich DM Goddard M Kapitza H Kim PC Kutschke R MacFarlane DB McKenna JA McLean KW Nilsson AW Orr RS Padley P Patel PM Prentice JD Seywerd HC Stacey BJ Yoon T Yun JC Ammar R Coppage D Davis R Kanekal S Kwak N 《Physical review letters》1986,56(6):549-552
30.
H. -O. Carmesin D. W. Heermann K. Binder 《Zeitschrift für Physik B Condensed Matter》1986,65(1):89-102
Instead of the standard assumption in the theory of phase separation where an instantaneous quench from an initial equilibrium state to the final state in the two-phase region is assumed, we consider the more realistic situation that the change of the external control parameter (e.g. temperature) can only be performed with finite rates. During the initial stages of spinodal decomposition the system then has some memory of the states intermediate between the initial and the final one. This influence of the finite quench rate in continuous quenching procedures is studied within the linearized theory of spinodal decomposition, with the Langer-Baron-Miller decoupling, and with Monte Carlo simulations. Both the case of thermally activated mobilities (applicable to solid metallic alloys) and the case of nearly temperature-independent mobilities (applicable to fluid polymer mixtures) are treated, and possible experimental applications are discussed. We find drastic deviations from the standard instantaneous quench situations in all cases of experimental interest. 相似文献