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Laurynas Dagys Vaidas Klimkevičius Vytautas Klimavicius Sergejus Balčiūnas Jūras Banys Vytautas Balevicius 《Journal of polymer science. Part A, Polymer chemistry》2020,58(23):3253-3263
The 1H–13C cross-polarization with magic-angle spinning (CP MAS) kinetics was studied in poly(methacrylic acid) (PMAA) having the purpose to track the links between the local order in the main chain and the proton dynamics in peripheral hydrogen bond networks. The experimental CP MAS kinetic curves were analyzed applying the models of isotropic and anisotropic spin-diffusion with thermal equilibration. The fractal dimension Dp ≈ 3 was deduced that indicates that PMAA behaves as an isotropic 3D-system. No proton conductivity in the neat PMAA was deduced from the impedance spectroscopy data analyzing the frequency dependences of the complex dielectric permittivity. The value of local order parameter S = 0.70 for CH2 in PMAA occupies an intermediate position between 0.63 and 0.85 deduced for CH2 sites in the main chains of poly(vinyl phosphonic acid) and poly(2-hydroxyethyl methacrylate), that is, the true proton conductor and the polymer that contains the H-bond network, however, no proton conductivity, respectively. 相似文献
23.
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25.
A polyacrylonitrile (PAN) homopolymer and a copolymer with methyl acrylate were analyzed by differential scanning calorimetry (DSC) in order to establish a method for the kinetic analysis of the stabilization reaction steps during heat treatment. The application of a program rarely used for the study of the chemical transformation of PAN and its copolymers resulted in five separate steps, which can be assigned with large probability to various cyclization and oxidation reactions. A more exact identification of the reactions needs further measurements and considerations. Overlapping peaks appearing in the DSC traces were deconvoluted and then quantitatively analyzed to obtain kinetic parameters. The kinetics of the processes were described by the Kissinger model. The model could be fitted well to four of the five processes that may indicate that these belong to individual reactions of the first order. The parameters obtained agree well with the few values of similar investigations published in the literature up to now. The results have large practical relevance, since the kinetic parameters obtained can be used in the preparation of intermediates and for the optimization of the stabilization process. 相似文献
26.
The exponential functional of simple, symmetric random walks with negative
drift is an infinite polynomial Y = 1 + ξ1 + ξ1ξ2 + ξ1ξ2ξ3 + ⋯ of independent
and identically distributed non-negative random variables. It has moments that are
rational functions of the variables μ
k
= E(ξ
k
) < 1 with universal coefficients. It
turns out that such a coefficient is equal to the number of permutations with descent
set defined by the multiindex of the coefficient. A recursion enumerates all numbers
of permutations with given descent sets in the form of a Pascal-type triangle.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
27.
The d-dimensional random partial order is the intersection of d independently and uniformly chosen (with replacement) linear orders on the set [n] = {1, 2, . . . , n}. This is equivalent to picking n points uniformly at random in the d-dimensional unit cube Qd=[0,1]dQ_d=[0,1]^d with the coordinate-wise ordering. If d = 2, then this can be rephrased by declaring that for any pair P
1, P
2 ∈ Q
2 we have P
1 ≺ P
2 if and only if P
2 lies in the positive upper quadrant defined by the two axis-parallel lines crossing at P
1. In this paper we study the random partial order with parameter α (0 ≤ α ≤ π) which is generated by picking n points uniformly at random from Q
2 equipped with the same partial order as above but with the quadrant replaced by an angular domain of angle α. 相似文献
28.
Monika Balázsová Miloslav Feistauer Jaromír Horáček Martin Hadrava Adam Kosík 《Applications of Mathematics》2018,63(6):739-764
The paper is concerned with the application of the space-time discontinuous Galerkin method (STDGM) to the numerical solution of the interaction of a compressible flow and an elastic structure. The flow is described by the system of compressible Navier-Stokes equations written in the conservative form. They are coupled with the dynamic elasticity system of equations describing the deformation of the elastic body, induced by the aerodynamical force on the interface between the gas and the elastic structure. The domain occupied by the fluid depends on time. It is taken into account in the Navier-Stokes equations rewritten with the aid of the arbitrary Lagrangian-Eulerian (ALE) method. The resulting coupled system is discretized by the STDGM using piecewise polynomial approximations of the sought solution both in space and time. The developed method can be applied to the solution of the compressible flow for a wide range of Mach numbers and Reynolds numbers. For the simulation of elastic deformations two models are used: the linear elasticity model and the nonlinear neo-Hookean model. The main goal is to show the robustness and applicability of the method to the simulation of the air flow in a simplified model of human vocal tract and the flow induced vocal folds vibrations. It will also be shown that in this case the linear elasticity model is not adequate and it is necessary to apply the nonlinear model. 相似文献
29.
Balázs Csikós György Kiss Konrad J. Swanepoel P. Oloff de Wet 《Periodica Mathematica Hungarica》2009,58(2):129-138
A family {A
i
| i ∈ I} of sets in ℝ
d
is antipodal if for any distinct i, j ∈ I and any p ∈ A
i
, q ∈ A
j
, there is a linear functional ϕ:ℝ
d
→ ℝ such that ϕ(p) ≠ ϕ(q) and ϕ(p) ≤ ϕ(r) ≤ ϕ(q) for all r ∈ ∪
i∈I
A
i
. We study the existence of antipodal families of large finite or infinite sets in ℝ3.
The research was supported by the Hungarian-South African Intergovernmental Scientific and Technological Cooperation Programme,
NKTH Grant no. ZA-21/2006 and South African National Research Foundation Grant no. UID 61853, as well as Hungarian National
Foundation for Scientific Research Grants no. NK 67867, no. T47102, and no. K72537. 相似文献
30.
Dr. Martin Piesch Dr. Amélie Nicolay Dr. Maria Haimerl Dr. Michael Seidl Dr. Gábor Balázs Prof. T. Don Tilley Prof. Dr. Manfred Scheer 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(45):e202201144
The bridging MeCN ligand in the dicopper(I) complexes [(DPFN)Cu2(μ,η1 : η1-MeCN)][X]2 (X=weakly coordinating anion, NTf2 ( 1 a ), FAl[OC6F10(C6F5)]3 ( 1 b ), Al[OC(CF3)3]4 ( 1 c )) was replaced by white phosphorus (P4) or yellow arsenic (As4) to yield [(DPFN)Cu2(μ,η2 : η2-E4)][X]2 (E=P ( 2 a – c ), As ( 3 a – c )). The molecular structures in the solid state reveal novel coordination modes for E4 tetrahedra bonded to coinage metal ions. Experimental data and quantum chemical computations provide information concerning perturbations to the bonding in coordinated E4 tetrahedra. Reactions with N-heterocyclic carbenes (NHCs) led to replacement of the E4 tetrahedra with release of P4 or As4 and formation of [(DPFN)Cu2(μ,η1 : η1-MeNHC)][X]2 ( 4 a,b ) or to an opening of one E−E bond leading to an unusual E4 butterfly structural motif in [(DPFN)Cu2(μ,η1 : η1-E4DippNHC)][X]2 (E=P ( 5 a,b ), E=As ( 6 )). With a cyclic alkyl amino carbene (EtCAAC), cleavage of two As−As bonds was observed to give two isomers of [(DPFN)Cu2(μ,η2 : η2-As4EtCAAC)][X]2 ( 7 a,b ) with an unusual As4-triangle+1 unit. 相似文献