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161.
Some of the piezoelectric coefficients of poly(vinylidene fluoride) are distinctly stress dependent. We report on their dependence on the frequency of an oscillatory stress excitation, on the amount of the remanent polarization in the sample materials, and on the magnitude of an offset stress. In order to explain the observed dynamic and nonlinear piezoelectric properties, a model is developed that attributes them to changes in the local polarization in an interphase between the crystalline and amorphous phases in this semicrystalline polymer. 相似文献
162.
A. Anton Smith K. Kannan R. Manavalan N. Rajendiran 《Journal of inclusion phenomena and macrocyclic chemistry》2007,58(1-2):161-167
Absorption and fluorescence spectra of bicalutamide (BCA) in different solvents and aqueous β-cyclodextrin (β-CD) solutions
are reported. The solid inclusion complex of BCA with β-CD is prepared and investigated by FT-IR, 1H NMR, differential scanning colorimetry (DSC) and scanning electron microscopy (SEM). The Stokes shift of BCA is correlated
with various solvent polarity scales like E
T(30), BK and f(D,n). β-CD studies show that (i) the absorption and emission maxima of BCA are shifted to red, (ii) the absorbance is slightly
decreased whereas emission intensity is increased largely with an increasing β-CD concentration, (iii) BCA forms 1:1 inclusion
complex with β-CD and (iv) intramolecular charge transfer (ICT) emission is present in the excited state. 相似文献
163.
Jean-Louis Brisset 《Journal of solution chemistry》1976,5(8):587-604
Various water-pyridine mixtures have been selected in order to compare several of the most popular extrathermodynamic assumptions involved in the determination of the transfer activity coefficient of the proton, t(H+). Two techniques have been utilized for this purpose: voltammetry [study of the ferrocene, ferricyanide, or thallium(1) systems] and potentiometry at equilibrium (emf measurements of various galvanic cells, including liquid junctions and hydrogen electrode or silver electrode as a test electrode). The assumptions have been classified into various groups [e.g., t(Zp+)=t(Zq+) or t(X–)=t(Y+)], and the values of t(H+) have been experimentally determined in each case. The results vary depending upon the basic assumption (several pH units); less important differences (e.g., 0.5 pH unit) occur within a given group, and this may be assigned to the nature of the reference species chosen. A simple model of solvation has been also examined; the application of the law of mass action to the corresponding equilibrium provides results close to the t(X–) =t(Y+)type of assumptions which ultimately leads to most self-consistent results. 相似文献
164.
Jeffrey Axten Jennifer Troy Peter Jiang Mendel Trachtman Charles W. Bock 《Structural chemistry》1994,5(2):99-108
Ab initio molecular orbital calculations are used to study the modified Schlenk equilibrium: 2RMgCl (RMgCl)2 MgR2 + MgCl2 Mg(Cl2)MgR2 with R=H and CH3. In the absence of any solvents, calculations indicate that the formation of the various possible bridged dimers (RMgCl)2 is substantially exothermic. However, using dimethylether as a model solvent, we show that the formation of the dimer (Me2O)(CH3)Mg(Cl2)Mg(CH3)(OMe2) is exothermic only when entropic effects are included. 相似文献
165.
Summary Retention indices of 6 selected hydroxy compounds (aliphatic and bicyclic alcohols, phenols) were determined on 2 HP-5 fused-silica, capillary columns with different film thicknesses (0.11 m and 0.33 m) at 8 different oven temperatures between 80 and 150°C. For some substances the I-T plot was found to show a minimum which cannot be explained by the common retention-index temperature-dependence in gas-liquid chromatography. This result is discussed in terms of adsorption at the liquid-solid interface of the capillary column. 相似文献
166.
The transport coefficients for the nine point groups
—which represent the symmetry groups of the quasicrystals in two and three dimensions—have been evaluated and tabulated in
this work, employing group-theoretical methods. 相似文献
167.
Three-Dimensional Modeling of the Turbulent Plasma Jet Impinging upon a Flat Plate and with Transverse Particle and Carrier-Gas Injection 总被引:4,自引:0,他引:4
Modeling results are presented concerning the turbulent thermal plasma jet impinging normally on a substrate and with transverse injection of feedstock particles and their carrier gas from a single injection tube. The k- two-equation model is employed to model the turbulence, and particle dispersion is studied considering the interaction between the moving particles and turbulent eddies and considering the effect on particle trajectories of the random variation of the turbulent fluctuating velocities in their magnitude and direction. A well-validated three-dimensional (3-D) computer code is used in the modeling. The 3-D effects due to the carrier gas injection on the jet flow field and thus on the particle trajectories and heating histories are shown to be appreciable. The radial location of the injection tube with respect to the plasma jet is shown to be a critical parameter for the study of 3-D effects, besides the carrier-gas/plasma stream mass flux ratio. Particle dispersion considerably widens the distribution of the particle trajectories and heating histories. In addition, although pertinent swirl number is often rather small, swirling may also affect the modeling results. 相似文献
168.
The essential features (geometries of the minima and of the saddle points, energy barriers) of the potential energy surface of the four hydrides YXH4 mentioned in the title have been determined with two basis sets, of minimal and DZ quality respectively. The importance of the different extent of the deformation of the XH4 group in the different structures of the four hydrides is brought out and discussed. The aspects of charge distribution and bonding are examined drawing on population analysis, comparison of the electrostatic molecular potentials and decomposition of the interaction energy (this last referred to the Y+ + XH
4
–
YXH4 process). The capability of XH3 in effecting the etherolytic disruption of the Y-H bond is finally brought out. 相似文献
169.
A potentiometric method using a glass electrode has been applied to determination of ionization constants for deuterium oxide (D2O) in binary mixtures of D2O with dioxane, tetrahydrofuran, acetone, dimethylsulfoxide, CH3CH2OD, and CH3OD at 25°C. The results are compared with values of ionization constants for H2O obtained previously in the corresponding H2O-organic mixtures, and the isotope effect is shown to be small. Further calculations with the D2O results show that the first five solvents mentioned above are neither appreciably acidic nor basic in D2O solution, but that CH3OD shows slightly acidic behavior (pKa=16.0±0.3). 相似文献
170.
Haengsoon Park 《Tetrahedron》2005,61(26):6352-6367
Only a limited number of ligands have been successfully employed for the Ni-catalyzed asymmetric hydrovinylation reaction. Diarylphosphinites, carrying β-acylamino groups prepared from readily available carbohydrates, in conjunction with highly dissociated counteranions {[(3,5-(CF3)2C6H3]4B− or SbF6−}, effect the hydrovinylation of vinylarenes under ambient pressure of ethylene with high enantioselectivity. Nitrogen substituents such as -COCF3 and COPh groups lead to isomerization of the primary products (3-arylbutenes) to Z- and E-2-aryl-2-butenes. In a prototypical synthesis of a 2-arylproionic acid, (S)-3-(4-bromophenyl)-1-butene (89% ee) has be transformed into (R)-ibuprofen by Ni-catalyzed cross-coupling with i-BuMgBr, followed by oxidation of the double bond with NaIO4 and KMnO4. Asymmetric codimerization of norbonene and ethylene using binaphthol-derived phosphoramidites as ligands gives 1:1, 2:1 or polymeric adducts depending on the relative configurations and nature of the BINAP and amine moieties. With one of the phosphoramidite-Ni complexes, counteranions BAr4− [Ar=3,5-(CF3)2C6H3] and SbF6−, which had been used interchangeably in other reactions, give either a 1:1 adduct or a 2:1 adduct, respectively. 相似文献