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141.
Yinghong Sheng Jerzy Leszczynski Thuc-Quyen Nguyen Anu Bamgbelu 《Structural chemistry》2007,18(6):827-832
A theoretical study using density functional theory was performed to understand the structure/property relationship of the
cationic conjugated polyelectrolytes, poly[9,9-bis-(6′-N,N,N-trimethylammonium) hexyl] fluorene-alt-4,7-(2,1,3-benzothiadiazole)] (PFBT-X, where X = Br). The torsion angle between the fluorene and benzothiadiazole units in the PFBT monomer was found to substantially affect
the structural and electronic properties of the cationic PFBT monomer. The changes of geometrical parameter, HOMO and LUMO energy levels, and band gap, as well as the absorption maximum
are discussed in terms of the torsion in the PFBT monomer structure. For comparison, its neutral analogue, the monomer of
poly(9,9-di-n-octylfluorene-alt-benzothiadiazole) (F8BT) was also studied. The length of conjugation backbone was also examined. 相似文献
142.
M. Iwan R. Łyszczek A. Ostasz Z. Rzączyńska 《Journal of Thermal Analysis and Calorimetry》2007,88(1):157-162
Properties of lanthanide 1,2,4-benzenetricarboxylates and lanthanide
1,2,4,5-benzenetetracarboxylates obtained by a classical synthesis method
and under hydrothermal conditions were compared. Solid 1,2,4-benzenetricarboxylates
and 1,2,4,5-benzenetetracarboxylates of cerium, neodymium and erbium were
prepared by a classical precipitation method. The same lanthanide compounds
were obtained also from hydrothermal reaction. All obtained products were
examined by elemental analysis. General formulae of complexes were: Ln(1,2,4-btc)·xH2O and Ln4(1,2,4,5-btec)3·yH2O. The thermal analysis
shows that hydrothermal conditions cause the coordination of less number of
water molecules to complex molecule. Because lanthanide ions exhibit the most
often the coordination number equal 8 or 9 one can conclude that the coordination
ability of carboxylic groups under hydrothermal conditions is different from
that under mild ones. Probably, in hydrothermal conditions the carboxylic
groups of 1,2,4-benzenetricarboxylate ions are able to form more coordination
bonds with lanthanide ions than under normal pressure. 相似文献
143.
A master equation is used to study transitions between the stable limit cycle and stable focus in the two-variable bistable system. The distribution function of the mean first passage time between these attractors and the relative dispersion of the mean first return time from the stable focus to itself as a function of the intensity of fluctuations are calculated and discussed. A coherence resonance is observed for the return time from the focus to itself. 相似文献
144.
Zusammenfassung 3,5-Dimethylpyrazol bildet in Anwesenheit von Rhodanid mit Kupfer(II) einen gefärbten Komplex, der in Chloroform leicht löslich ist. Diese Reaktion wurde zur photometrischen Bestimmung von 10 bis 100g Cu/5 ml verwendet.
Summary A colored complex, that is readily soluble in chloroform, is formed by copper(II) with 3,5-dimethylpyrazole in the presence of thiocyanate. This reaction was employed for the photometric determination of 10 to 100g Cu/5 ml.
Résumé Le diméthyl-3,5 pyrazol forme avec le cuivre-II en présence de thiocyanate, un complexe coloré, facilement soluble dans le chloroforme. On a utilisé cette réaction pour le dosage photométrique de 10 à 100g Cu/5 ml.相似文献
145.
Denifl S Ptasińska S Sonnweber B Scheier P Liu D Hagelberg F Mack J Scott LT Märk TD 《The Journal of chemical physics》2005,123(10):104308
Electron attachment to the polyaromatic hydrocarbons coronene and corannulene is studied in the electron energy range of about 0-14 eV using a high-resolution crossed electron-neutral beam setup. The major anions observed are the parent anions peaking at about 0 eV with cross sections of 3.8 x 10(-20) and 1 x 10(-19) m(2), respectively. The only fragment anions formed in coronene and corannulene are the dehydrogenated coronene and corannulene anions. Other anions observed in the negative mass spectra at about 0 eV can be ascribed to impurities of the sample. High-level quantum-mechanical studies are carried out for the determination of electron affinities, hydrogen binding energies, and structures of both molecules. The behavior of coronene and corannulene upon electron attachment is compared with that of other polyaromatic hydrocarbons studied previously. 相似文献
146.
Jakub Wojciechowski Henryk Krawczyk Marcin
liwiski Karolina Kafarska Wojciech M. Wolf 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(5):o280-o282
The title compound, C14H20O2, adopts a conformation in which the δ‐valerolactone and cyclohexane rings are almost coplanar with one another. The γ‐methyl substituent occupies an axial position with respect to the cyclohexane ring. The δ‐valerolactone moiety adopts an envelope arrangement, while the cyclohexane ring exists in a chair conformation. 相似文献
147.
Calorimetry has been used in the investigations of calcium aluminate materials produced as a binder for aluminate-corundum
composites of high refractoriness. The kinetics and of hydration process was thus characterized and the optimum compositions
of initial binders and cement-corundum refractory filler blends could be selected for further tests. The acceleration of heat
evolution - the shortening of so-called induction period and relatively high heat output in the presence of corundum was observed.
It means the acceleration of hydration process, that is early crystallisation of hydration products and subsequent further
dissolution of initial anhydrous aluminate phases. In the presence of fine grained corundum particles these phenomena should
be attributed to the nucleating effect of fine corundum particles.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
148.
Teresa Borowia Marek Mączyński Marek Pietraszkiewicz Oksana Pietraszkiewicz 《Journal of inclusion phenomena and macrocyclic chemistry》1999,35(1-2):131-138
The crystal structure of the molecular complex of C-undecylcalix[4]resorcinarene with dioxane has been determined by X-ray analysis. The asymmetric unit contains one host and four guest molecules. The calix[4]resorcinarene moiety adopts a bowl conformation with C4v
symmetry. Four undecyl chains are axially oriented. Calix molecules are packed in a bowl-to-bowl fashion with alternating hydrophilic and hydrophobic layers. One of the hydrophilic dioxane molecules is located at the rim of the calix moiety and is hydrogen bonded to the other one. There is no interaction to attract, or direct the dioxane molecule into the interior of the cavity. There is an exo complex formed. The dioxane molecules – located in the hydrophobic part – are highly disordered. 相似文献
149.
In this work, absorption and fluorescence spectra of protochlorophyllide (Pchlide), as well as its fluorescence lifetime, were investigated in organic solvents having different physical properties. The obtained Pchlide spectral features are discussed in relation to the parameters describing solvent properties (refractive index and dielectric constant) and taking into account the specific solvent-Pchlide interaction. The correlation of Pchlide Qy and Soret absorption bands with solvent polarizability function ((n2 - 1)/(n2 + 2)) has been found; however, the dispersion of the observed points was rather high. A small Stokes shift of a magnitude between 50 and 300 cm(-1) was found, which indicates low sensitivity of Pchlide to nonspecific solvation. The fluorescence decay of Pchlide was single exponential in all the investigated solvents, with the lifetime value ranging from 5.2 ns for dioxane to 3.5 ns for methanol. Dependence of the obtained fluorescence lifetimes on the solvent orientation polarizability, a parameter being the function of both refractive index and dielectric constant, was discussed. In water-methanol mixtures, a further decrease of the fluorescence lifetime was observed, giving values of 2.9 ns for 25% methanol. Double-exponential decay of Pchlide fluorescence was found for Pchlide in a solution of 15% methanol with the lifetimes of 4.5 +/- 0.5 ns and 1.2 +/- 0.3 ns and in pure water with the lifetimes of 2.5 +/- 0.5 ns and 0.4 +/- 0.1 ns. The obtained results are discussed in relation to spectroscopic properties of Pchlide in vivo. 相似文献
150.
The influence of spent catalyst from catalytic cracking in fluidized bed on the hydration process of cement and the properties
of cement mortars were studied. The spent catalyst was used as an additive to cement in the mortars (10 and 20% of cement).
The samples of mortars kept in water for28 days, then they were placed in sulfate and chloride media for 2 months (the control
samples were kept in water for 3 months). After this time they were subjected to bending strength and compressive strength
determinations. Thermogravimetric and infrared absorption studies were performed and capillary elevation, capability of binding
heavy metals, and changes in mass and apparent density were determined too. The studies disclosed the pozzolana nature of
spent catalyst and its influence on cement mortars being in contact with corrosive media.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献