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911.
U. Röthlisberger W. Andreoni 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1991,20(1):243-246
We present the results of ab-initio molecular dynamics studies of selected microclusters of sodium, silicon and magnesium at finite temperatures, and especially discuss those obtained around room temperature. In particular, from the analysis of the atomic trajectories we can identify in some cases the existence of different isomers and the isomerization pathways. We have also calculated vibrational spectra at low temperatures and find that they can be used as a very sensitive structural probe also in sodium clusters, where the electronic properties are quite insensitive to the geometry. 相似文献
912.
A simple and sensitive method for the simultaneous analysis of carbaryl and 1-naphthol in whole blood by reversed-phase high-performance liquid chromatography and fluorescence detection is described. Spiked blood (heparinized) containing an internal standard was hemolyzed and extracted with ethyl acetate. After centrifugation the extractant was removed and taken to dryness. Reconstitution and subsequent high-performance liquid chromatography-fluorescence analysis yielded linear standard curves for carbaryl and 1-naphthol. Linear response vs. concentration profiles were obtained for carbaryl and 1-naphthol extracted from buffer solutions as well. A simple chemical hydrolysis study of carbaryl is included to illustrate the effectiveness of the extraction procedure and assay. 相似文献
913.
Pulsed IR radiation from a CO2 TEA laser has been shown to cause dehydrohalogenation of CF3CH3, CF2ClCH3 and C2H5Cl under collisionless conditions. IR emission has been observed and is attributed to HF2 and CF2CH22 from CF3CH3, and to HF2 and HCl2 from CF2ClCH3. 相似文献
914.
A.J. Leadbetter R.M. Richardson B.A. Dasannacharya W.S. Howells 《Chemical physics letters》1976,39(3):501-504
Incoherent quasi-elastic neutron scattering spectra have been measured down to low scattering vectors (Q >) 0.14 Å?1) on magnetically aligned specimens of the nematic and smectic A phases of EABAC. Data were obtained for Q || n and Q⊥n where n denotes the direction of the unique axis) giving the diffusion coefficients D|| and D⊥ for the two phases as follows (in units of 10?7 cm2 s?1); nematic: D|| = 15.8 ± 2.0, D⊥ = 12.3 ± 0.8; smectic A: D|| = 4.3 ± 0.4, D⊥ = 4.9 ± 0.8. The anisotropy is reversed between the phases and the molecules are more mobile in the nematic phase as expected. In the smectic A experiments with Q || n an apparent inconsistency between low and high Q results is interpreted as evidence for the existence of some slow motion other than translational diffusion which requires further investigation. Preliminary measurements were made to explore the application of the “fixed window” method for determining the temperature dependence of the diffusion coefficients. 相似文献
915.
The application of DTA to fluxed melts is discussed, and an apparatus for the determination of the solubility of crystalline materials in molten solutions is described. An exploratory study of the crystallization of nickel ferrite from barium borate fluxes is also described, and solubility curves are presented for fluxes which favour crystal growth. The heat of solution of nickel ferrite was found to be 73 ± 2 Kjoule mole–1.
Zusammenfassung Es wurde über die Anwendung der DTA Methode bei der Untersuchung von Flußmittel enthaltenden Schmelzen berichtet und ein Apparat zur Bestimmung der Löslichkeit von kristallinischen Substanzen in Flüssen beschrieben. Eingehend wurden die Kristallisation von Nickelferrit aus Bariumborat-Flüssen untersucht und Löslichkeitskurven für den Kristallwachstum begünstigende Flüssen gegeben. Die Lösungswärme von Nickelferrit betrug 73 ± 2 Kjoule Mol–1.
Résumé On a décrit l'application de la méthode ATD à l'étude des fusions avec fondant et un appareil adapté à la détermination de la solubilité des substances crystallines dans les fondants. On a étudié la cristallisation de ferrite de nickel des flux de borate de baryum. Des courbes de solubilité pour des flux favorisant les grossissement des cristaux sont présentées. La chaleur de solution du ferrite de nickel a été trouvée 73 ± 2 kjoule mole–1.
A ( ). , . 73±2 –1.相似文献
916.
The in situ isomerisation and Diels-Alder reaction with 2-acetoxyacrylonitrile, of 2,5-dihydroanisole, leads to the adducts (1) which may be used as starting point for the synthesis of a number of bicyclo [2,2,2] octenones, bicyclo [3,2,1] octenones and bicyclo [3,2,2] nonenones. Under similar conditions, 2,5-dihydrotoluene reacts via an ene-reaction to produce, after hydrolysis, the acetylcyclohexadiene (27). The base-catalysed equilibration and subsequent Diels-Alder reactions of 2,5-dihydrotoluene have been investigated. 相似文献
917.
Rb2TiO3, a New Oxotitanate with Coordination Number 4 Rb2TiO3 cristallizes according to single crystal datas [544 Okl? 4kl, Mo? Kα] orthorhombic, a = 6.015, b = 11.936, c = 13.366 Å, Z = 8, space group D? Cmca, drö = 3.69, dpyk = 3.65 g cm?3; for occupied positions and atomic parameters see text. Surprisingly the coordination number of Ti to 0 turns out to be 4. The chains [TiO1/1O1/1O2/2] are placed along [100]. The Madelung part of lattice energy (MAPLE) of Rb2TiO3 is calculated and discussed. In order to display the characteristics of the structure, further MAPLE-calculations have been carried out. K2TiO3 belongs to the Cs2PbO3-Family of structure with C.N. 5 of Ti to 0. Cs2TiO3 and Rb2TiO3 are not isotypic. 相似文献
918.
Hollow-cathode tubes and discharge lamps are studied as spectral sources for absorption spectrophotometry. Comparisons are made of monochromatic versus conventional continuous sources with respect to several experimental parameters, particularly the effect of slitwidth. Working curves are shown to indicate the possible advantages of using line sources for narrow band absorption systems. 相似文献
919.
W. Richter 《Accreditation and quality assurance》1997,2(8):354-359
Primary methods of measurement have a central function in metrology. They are an essential component in the realisation of
the SI units and therefore are indispensable for establishing traceability of measurements of all kinds of physical quantities
to the corresponding SI units. This is also true for chemical analysis. Gravimetry, titrimetry, coulometry, and isotope dilution
mass spectrometry (IDMS) are evaluated with regard to their potential to be primary methods according to a general definition
of primary methods recently given by the Comité Consultatif pour la Quantité de Matière (CCQM). Optical absorption spectrometry
and methods based on colligative properties are also considered. A general scheme for establishing traceability of chemical
measurements to the SI units using primary methods is discussed.
Received: 17 April 1997 · Accepted: 9 August 1997 相似文献
920.
An electroanalytical method, based on derivative chronopotentiometry of the copper complex with 4-[(4-diethylamino-2-hydroxyphenyl) azo]-5-hydroxy-naphthalene-2,7-disulphonic acid (Beryllon III) accumulated on the surface of a hanging mercury drop electrode, for determining trace copper in food has been developed. The dependence of the peak height of reduction of the copper complex on the preconcentration time and preconcentration potential are discussed. Optimum experimental conditions include 0.01 M HOAc, 0.01M NaOAc, 1.0 x 10(-6) Beryllon III and a preconcentration potential of 0.10 V (vs. SCE). Under these conditions the detection limit and the linear range are 4 x 10(-11)M and 6 x 10(-11) -4 x 10(-7)M, respectively. The method was applied to samples of digested rice. 相似文献