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111.
The complex permittivity for chlorobenzene–alcohol binary mixtures have been determined over the frequency range of 10 MHz to 20 GHz, at 15, 25, 35, and 45°C, using the time-domain reflectometry (TDR) method for 11 concentrations of each chlorobenzene–alcohol system. The alcohols used were methanol, ethanol, and 1-propanol. The values of static dielectric constant, relaxation time, the corresponding excess properties, the Redlich–Kister coefficients up to the third order, the Kirkwood correlation factor, and thermodynamic parameters of the mixtures have been determined. The excess permittivity is found to be negative for chlorobenzene–methanol and chlorobenzene–ethanol, whereas it is positive in the 1-propanol rich region. The excess inverse relaxation time is negative for all the systems studied here. The Kirkwood effective correlation factor increases with an increasing in the molecular size of the alcohol, but decreases with increasing temperature. 相似文献
112.
刘以训 《中国科学B辑(英文版)》1989,(12)
Several studies indicate that substances synthesized by granulosa cells are capableof regulating oocyte activity. We have studied the effect of factors synthesized by gran-ulosa cells on tPA activity of denuded oocytes using a co- culture system. The resultsshow that an FSH- dependent factor(s) synthesized by granulosa cells (but not by theca-interstitial cells) is capable of stimulating tPA activity of denuded oocytes. This findingis important for understanding hormonal regulation of oocyte tPA activity by mediatorssynthesized in granulosa cells. 相似文献
113.
用包括水抑制作用的动力学方程,根据建立的反应扩散模型和FT合成化学计量关系,计算了工业原颗粒FT合成沉淀Fe/Cu/K催化剂在工业操作条件下的有效因子。根据不同的产物组成,建立了三种化学计量关系式,比较了气相反应和气液反应的有效因子,确立了FT合成沉淀Fe/Cu/K催化剂有效因子的计算方法。在FT合成反应条件下,产物蜡充满了催化剂的微孔,各组分在蜡中的扩散系数要比纯气相中的扩散系数小得多。在工况操作条件下(523K,2.5MPa,500h ̄(-1),尾气循环比3.0),工业原颗粒(d_p=2.5mm,l_p=5~10mm)催化剂的实际有效因子是纯气相反应的一半左右,计算的平均有效因子分别为0.40和0.42。 相似文献
114.
Shortcut method for evaluation and design of a hybrid process for enantioseparations 总被引:1,自引:0,他引:1
Kaspereit M Gedicke K Zahn V Mahoney AW Seidel-Morgenstern A 《Journal of chromatography. A》2005,1092(1):43-54
Hybrid processes for enantioseparations have a considerable potential for reducing investment and operational costs. An example is the combination of simulated moving bed (SMB) chromatography and selective crystallisation. However, the design of integrated processes is a difficult task. A shortcut method is presented that can serve as a tool for design and estimation of the potential of such processes. The approach requires only limited experimental data and thus allows for systematic parameter studies. The method is based on the determination of the purity-performance characteristic of the SMB process and rigorous application of mass balances. The use of relative mass fluxes allows derivation of simple algebraic expressions for essential process parameters. The significant potential of combining SMB and crystallisation is demonstrated for the example of the separation of mandelic acid enantiomers. 相似文献
115.
IntroductionCatal}ticrcactionsaffcctcdb}'diffosionaIlimitationincatal}'stporcshavcbccnextensive1}dcaltx`ithinlit.rat.rcll~5I.Scvcraltcchniqucsonthcspccialcase0fFischcr-Tropschs}'nthcsis(FTS)t\crcapplicdtocxplorcthebchaviorofthiscatal}ticrcactionundercxpcrimcntalandopcrationaIconditionsI3~5l.It`"ouldbeofvaluctoindicatchcrcthatthcseinvcstigationsx"ercmainl}'bascdonthesimplcstkineticsofthcfirstordcrinH2proposedbyAndersonl6]attheearIystages.However-thesetboents,striCtlyspeaking,areinvalidfor… 相似文献
116.
Binary zirconium orthophosphates R1/3Zr2(PO4)3 and M1/4Zr2(PO4)3, where R = Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm, Yb, Lu; M = Th, U, have been synthesized and studied by IR spectroscopy [structural family of NaZr2(PO4)3 (NZP)]. Vibrational analysis for the PO4 tetrahedron and investigation of symmetry relations among trigonal NZP phases showed that ordering of lanthanide atoms in structures of NaZr2(PO4)3 type with space group R
c leads to symmetry reduced to P
c. The lanthanide atoms occupy the 2b sites. The phosphorus atoms occupy two independent sites: 6f with C
2 symmetry and 12g with C
1 symmetry. Factor group analysis admits that the IR spectrum can contain eight v3 bands and two v1 bands of the stretching vibrations of the PO4 ions. The M atoms of actinides occupy statistical positions in the structure, and space group R
c is retained.Original Russian Text Copyright © 2004 by V. S. Kurazhkovskaya, D. M. Bykov, and A. I. Orlova__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 6, pp. 1013–1019, November–December, 2004. 相似文献
117.
表皮生长因子受体和抑制剂之间分子对接的研究 总被引:3,自引:0,他引:3
研究了表皮生长因子受体(EGFR)和4-苯胺喹唑啉类抑制剂之间的相互作用模式,表皮生长因子受体的三维结构通过同源蛋白模建的方法得到,而抑制剂和靶酶结合复合物结构则通过分子力学和分子动力学结合的方法计算得到。从模拟结果得到的抑制剂和靶酶之间的相互作用模式表明范德华相互作用、疏水相互作用以及氢键相互作用对抑制剂的活性都有重要的影响,抑制剂的苯胺部分位于活性口袋的底部,能够与受体残基的非极性侧链产生很强的范德华和疏水相互作用,抑制剂双环上的取代基团也能和活性口袋外部的部分残基形成一定的范德华和疏水性相互作用,而抑制剂喹唑啉环上的氮原子能和周围的残基形成较强的氢键相互作用,对抑制剂的活性有较大的影响,计算得到抑制剂和靶酶之间的非键相互作用能以及抑制剂和靶酶之间的相互作用信息能够很好地解释抑制剂活性和结构的关系,为全新抑制剂的设计提供了重要的结构信息。 相似文献
118.
Alessandro D'Aprano Dorina I. Donato Eugenio Caponetti 《Journal of solution chemistry》1979,8(2):135-146
Dielectric constants (measured at 1 MHz) are reported for solutions of water (concentration range 0 to 0.2 mole fraction)
in 1-propanol at 25°C, and in 1-butanol, 1-pentanol, and 1-hexanol at 15, 25, 35, and 45°C. These results, together with literature
values for solutions of water in methanol, ethanol, 1-heptanol, and 1-octanol, show that water interacts with alcohols in
at least two ways: (1) it can participate in the formation of dynamic hydrogen-bonded chains, thereby raising the polarizability;
(2) it can form relatively stable structures such as H2O(ROH)4 which have zero net dipole moment and consequently diminish volume polarizability. For C
n
H
2n+1
OH alcohols,n≥4, most of the initially added water forms complexes: consequently, addition of water to these alcohols lowers the dielectric
constant. 相似文献
119.
The analysis of the interaction of micelles formed by a blockcopolymer is given by means of small-angle X-ray (SAXS) and
small-angle neutron scattering (SANS). The blockcopolymer consists of poly(styrene) and poly(ethylene oxide) (molecular weight
of each block: 1000 g/mol) and forms well-defined micelles (weight-association number: 400, weight-average diameter: 15.4 nm)
in water. The internal structure has been studied previously (Macromolecules 29:4006 (1996)) by SAXS. There it has been shown
that the micelles are spherical objects. The structure factor S(q) as a function of the scattering vector q (q=(4π/λ) sin (θ/2); λ: wavelength of the radiation in the medium; θ: scattering angle) can be extracted from both sets of small-angle
scattering data (SANS: q≤0.4 nm-1; SAXS: q≤0.6 nm-1). It is shown that particle interaction in the present system can be described by assuming soft interaction which is modeled
by a square-step potential.
Received: 12 May 1997 Accepted: 9 July 1997 相似文献
120.
Jean-Fran?ois?BoilyEmail author Terry?M.?Seward 《Journal of solution chemistry》2005,34(10):1167-1190
The dissociation constants of fumaric acid were extracted from UV-vis spectra in the 10–90 ∘C range. These values were used to extract thermodynamic parameters that showed the temperature effects on the dissociations
reactions to be dominantly driven by the solvent. The molar absorption coefficients for the fumaric acid, the bifumarate and
fumarate species, can be accurately reproduced with the two-term Gauss–Lorentz equation. Deconvolution of these bands showed
strong π–π∗ transitions for all species and weaker charge-transfer-to-solvent transitions for the charged species. TD-DFT calculations
were used to identify the most important molecular orbitals involved in the vertical excitations of the fumaric acid species.
The electron population and their states of delocalization were also estimated with topological analyses of the electron density
and of the Becke–Edgecombe Electron Localization Function. 相似文献