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31.
S.D. Christian J. Grundnes P. Klaeboe C.J. Nielsen T. Woldbaek 《Journal of Molecular Structure》1976,34(1):33-45
The infrared spectra of 1,1,2-trichloroethane were recorded from 4000 to 50 cm?1 in the vapour and liquid states. Additional spectra above 200 cm?1 of the low temperature crystal and of two crystalline solids, prepared by compressing the sample in a diamond anvil cell, were obtained. Also, infrared spectra of the liquid and of the compound dissolved in CS2 were recorded at increased pressures. Raman spectral data of the liquid (including polarization measurements) and of the low temperature crystal were obtained.The fundamental frequencies for each of the two conformers, C1 and Cs, were assigned and the results checked by normal coordinate analysis. The same diagonal and off-diagonal force constants were employed for the two conformers and the force fields were derived by means of a least squares refinement, including data for chloroethane, 1,1-dichloroethane and various deuterated species. A standard deviation of 3 % was obtained in the final fit.From the changes in relative intensities for infrared bands belonging to the C1 and Cs conformers with increasing pressure, the volume differences (ΔV¯between the conformers were determined in CS2 solution and in the pure liquid. 相似文献
32.
The question of possible neutral intermediates which may lie on the reaction pathway in going from longifolene to isolongifolene has been investigated using BF3·Et2O-AcOD and D3PO4-dioxane, as reagents. It has been found that longicyclene is not an obligatory intermediate. The mode of cleavage of cyclopropane ring in longicyclene has been investigated. 相似文献
33.
钱钢 《南京师大学报(自然科学版)》1998,21(1):22-26
讨论了模糊集理论在车间作业计划中的应用,提出了车间作业计划的模糊多目标网络模型及其算法。 相似文献
34.
The phosphorescence spectra of naphthalene-octafluoronaphthalene and durene-octafluoronaphthalene at 4.2 K reveal a localized exciton emission from octafluoronaphthalene, a weak intercomponent triplet-states quasi-resonance and a weak exciton-phonon coupling. 相似文献
35.
The vertical ionization potentials of difluoramine are calculated by perturbation corrections to Koopmans' theorem. The calculation shows that difluoraimine has three overlapping bands between 15 and 16 eV. The calculated results compare well with the experimental values. The photoelectron spectrum of difluoramine is compared with that of OF2 and CH2F2. 相似文献
36.
A variety of 1-(-alkylphenyl)- and 1-(-'-dialkylphenyl)- pyrrolidines and -piperidines were prepared by the gas phase alumina mediated condensation of tetrahydrofuran (THF), tetrahydropyran (THP) or the corresponding diols with primary aromatic amines in fair to high yield. This methodology can also be used for the synthesis of 1-phenylhexahydroazepine from aniline. A mechanistic interpretation of the catalytic action of alumina is presented. 相似文献
37.
It has been shown that the “internal” isotope distribution within a given molecular species at the natural abundance level is accessible by a new method, SNIF-NMR, which is based on deuterium NMR. Relative internal factors, Ri/j,have been defined which enable the isotope content of a given site, i, to be compared to that of another molecular site, j, taken as the reference. Several referencing methods intended to provide direct access to relative , Ti , and , (D/H)i , site-specific parameters, are now discussed from both the theoretical and the experimental points of view. In the , which involves a time-consuming chemical transformation of the sample, the risk exists of more or leas systematic errors resulting from discriminating fractionation effects. However this technique offers, conversely, an interesting way of investigating kinetic isotope effects without the need for specific labelling. In spite of its lower spectral precision the has the advantage of being fast and less sensitive to systematic errois and may be used for direct rough routine determinations of the site-specific isotope contents. More precise results can be obtained, at the price of contaminating the sample, when an is added and signal heights are used, remembering however that the intensity parameters then have no strict physical meaning in terms of absolute isotope contents. The site-specific parameters, Ti and (D/H)i thus accessible, provide new information on the mechanisms of the fractionation effects occurring in natural conditions and examples are considered. 相似文献
38.
Molybdenum was reported to be precipitated quantitatively by 8-hydroxyquinoline in the pH range 3.3–7.6, the precipitated compound having the composition MoO2(ox)2. The pH range reported and the composition of the complex do not seem to be compatible with present knowledge of the pH stability of anionic and cationic molybdenum. It is now shown that under defined conditions, the precipitate is not formed at pH values higher than 2.24. In several estimations of other metals, molybdenum was masked by using a complexone at high pH values. It is now pointed out, that maintaining the solution at high pH value is itself sufficient and no other external complexing agent is necessary for masking molybdenum. 相似文献
39.
The Raman phonon spectroscopic study shows that the photodimerization of 2,6-dimethyl-p-benzoquinone. In the solid state is initially a homogeneous reaction but later becomes heterogeneous as the product accumulates. The Ion-temperature electronic absorption spectrum reveals that the reaction is phonon assisted by a polaron formed due to a strong electron- phonon coupling in the cxcited 1nπ* state. 相似文献
40.
The sulphide-selective electrode is applicable to the determination of dithiooxamide by titration with silver nitrate. The effect of the alkali content of the solutions on the reaction has been studied. The reaction products are silver sulphide, oxalic acid, and nitric acid. If the alkali concentration of the solution is lower than that equivalent to the acid formed during the titration, the amount of sulphide produced by hydrolysis decreases and the equilibrium potential is established more slowly.The determination is rapid and accurate in the presence of 1 M sodium hydroxide. 相似文献