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1.
New thiazole derivatives were synthesized and fully characterized, then coordinated with PtCl4 salt. Also, the newly synthesized Pt(IV) complexes were investigated analytically (elemental and thermogravimetric analyses), spectrally (infrared, UV–visible, mass, 1H NMR, 13C NMR, X‐ray diffraction) as well as theoretically (kinetics, modeling and docking). The data extracted led to the establishment of the best chemical and structural forms. Octahedral geometry was the only formula proposed for all complexes, which is favorable for d6 systems. The molecular ion peaks from mass spectral analysis coincide with all analytical data, confirming the molecular formula proposed. X‐ray diffraction (XRD) and scanning electron microscopy (SEM) allowed discrimination of features between crystalline particles and other amorphous morphology. By applying Gaussian09 as well as HyperChem 8.2 programs, the best structural forms were obtained, as well as computed significant parameters. Computed parameters such as softness, hardness, surface area and reactivity led us towards application in two opposing pathways: tumor inhibition and oxidation activation. The catalytic oxidation for CO was conducted over PtO2, which was yielded from calcination of the most reactive complex. The success of catalytic role for synthesized PtO2 was due to its particulate size and surface morphology, which were estimated from XRD patterns and SEM images, respectively. The antitumor activity was tested versus HCT‐116 and HepG‐2 cell lines. Mild toxicity was recorded for two of the derivatives and their corresponding complexes. This degree of toxicity is more favorable in most cases, due to exclusion of serious side effects, which is coherently attached with known antitumor drugs. 相似文献
2.
Alkynes cycloaddition reactions are powerful tools for constructing cyclic molecules with optimal atom efficiency, but these reactions cannot proceed at ambient temperature without transition-metal catalysts. In this work, a heterobimetallic complex featuring an Nb–Fe triple bond, Nb(iPrNPMe2)3Fe–PMe3, has been evaluated as the potential catalyst for acetylene cycloaddition, using density functional theory. The calculated results show that the singlet-state (i.e. ground-state) Nb(iPrNPMe2)3Fe–PMe3 can be applied to benzene synthesis, but is not suitable for cyclobutadiene. Benzene can be obtained easily at room temperature and is the unique product on the singlet potential surface. The irradiation of infrared-red light can drive the excitation of singlet Nb(iPrNPMe2)3Fe–PMe3 to its triplet state. Both benzene and cyclobutadiene can be formed on the triplet reaction potential surface due to their low energy barriers. Therefore, Nb(iPrNPMe2)3Fe–PMe3 is a potential high reactivity heterobimetallic catalyst for the cyclotrimerization of alkynes. In the reaction process, the catalytic active site of Nb(iPrNPMe2)3Fe–PMe3 moves from niobium to iron. 相似文献
3.
Aromatic nitro compounds were reduced to the corresponding symmetrically substituted azo compounds using lead as catalyst and triethylammonium formate as hydrogen donor. Various azo compounds containing additional reducible substituents including halogens, nitrile, acid, phenol, ester, methoxy functions, etc, have been synthesized in a single step by the use of this reagent. The conversion is reasonably fast, clean, high yielding and occurs at room temperature in methanol. 相似文献
4.
室温或近室温固相反应要求绿色化、清洁化[1,2]。我们以KMnO4和MnCl2·4H2O为原料,用室温固相氧化还原反应制备氧化锰粉体时,得到了一种对H2O2分解具有较高催化活性的纳米KMn8O16粉体,用XRD、SEM、IR等技术对其进行了表征,发现研磨时间对粉体性能有显著影响。1 实验部分1 1 粉体的制备按摩尔比(2∶3)准确称取一定量的分析纯KMnO4和MnCl2·4H2O,分别置于玛瑙研钵中充分研细,再混合研磨,固相反应立即发生,体系颜色逐渐加深,并有刺激性气体产生,充分研磨后70℃恒温12h,固相产物依次经水洗至中性、醇洗、抽滤,真空干燥得黑色粉… 相似文献
5.
任胜兵 《武汉大学学报(理学版)》2006,52(5):644-648
针对基于Web的图书馆管理系统资源访问控制的动态性问题,提出了一种基于角色的访问控制策略描述方案.通过对基于Web的图书馆管理系统访问控制管理影响因素和访问控制需求的分析,结合NIST基于角色的访问控制统一模型标准,构造了一种基于角色的访问控制元模型.并在这一元模型的基础上,提出了一种紧凑的基于角色的访问控制XML策略描述语言框架.结果表明该访问控制策略描述语言框架适合表述动态环境下对图书馆资源的访问策略,提高了基于Web的图书馆管理系统资源访问的安全性. 相似文献
6.
本文研究了催化反应非线性奇摄动边值问题.利用微分不等式理论和方法,得到了问题的解的任意次近似渐近估计. 相似文献
7.
Taking both the heterogeneous catalytic processes, including the surface formation of particles with excited internal degrees of freedom, and the processes of multicomponent diffusion and heat transfer in the MESOX apparatus fully into account makes it possible to obtain a recombination coefficient and an accommodation coefficient of the oxygen-atoms-on-quartz recombination energy which are in good agreement with the experimental data. The heterogeneous catalysis model constructed can be used effectively for predicting the heat fluxes to the surface of reentry vehicles on their entry into the Earth’s atmosphere. 相似文献
8.
N. V. Sotskaya O. V. Dolgikh E. I. Ryabinina 《Russian Journal of Electrochemistry》2005,41(8):866-873
The rate of anodic oxidation of the hypophosphite ion on alloys Ni-P, Ni-B, and Ni-Mo-P is studied as a function of their composition and structure. The organic compounds that are customarily used to stabilize electrolytes of electroless nickel plating are shown to come useful when controlling composition of the Ni-P coatings at the expense of their different influence on the rates of partial processes of deposition of the alloy components. The formation of catalytic activity of such coatings is affected mostly by a structural factor. With alloys Ni-P, Ni-B, and Ni-Mo-P, whose composition was varied by altering the concentration of the source of the alloying component, dependence of catalytic activity of the surface on the composition is defined mainly by an electronic factor.__________Translated from Elektrokhimiya, Vol. 41, No. 8, 2005, pp. 972–980.Original Russian Text Copyright © 2005 by Sotskaya, Dolgikh, Ryabinina. 相似文献
9.
R. Venkat narayan Vinod Kanniah Aruna Dhathathreyan 《Journal of Chemical Sciences》2006,118(2):179-184
Cobalt oxides were prepared by three different methods: (1) by reacting cobalt nitrate with oxalic acid, (2) co-precipitating
cobalt nitrate with sodium carbonate, and (3) using sodium dodecyl sulphate as organic surfactant. All three samples were
characterized before and after calcination by solvent extraction and the resulting products examined by IR spectroscopy. In
the case of method 3, the removal of surfactant was followed by TGA studies. Products from all three methods were identified
by XRD. Peaks in low angle XRD indicate the porous nature of the oxides. The morphology of the pores was studied by transmission
electron microscopy. Some irregular pore structures were obtained for samples from methods 1 and 2, with an average size of
4–6 nm. Only the product from method 3 using SDS as template showed ordered structure and optimum size, and Brunauer-Emmet-Teller
surface areas of the as-prepared, as well as the treated samples, exhibited H3 type hysteresis. The samples from the three
methods were used as catalysts in the oxidation reaction of cyclohexane under mild conditions and the catalytic efficiency
of the cobalt oxide was comparable with mesoporous cobalt oxides. 相似文献
10.
Jeffrey C. Johnson Dawn L. Parks 《Computational & Mathematical Organization Theory》1998,4(3):223-239
Earlier research has shown a relationship between various forms of structural centrality and perceived leadership and role
satisfaction in small experimental groups. The limited amount of research on this topic in naturally occurring social networks
has yielded results that often conflict with one another. Different results have generally been attributed to possible differences
in task environments. This paper examines the relationship between two types of structural centrality and perceived influence,
role satisfaction, and perceived effectiveness in an environmental resource management program. Findings in this paper suggest
that the observed differences in relationships between the network and other variables is partly a function of global network
properties (e.g., marginality of subgroups) and related task environments.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献