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131.
We perform Monte Carlo simulations of a lattice model for polymer melts, i. e., the bond fluctuation model in three dimensions. By using an energy parameter that prefers relatively long bonds, the model exhibits a glass transition at low temperatures, in close qualitative similarity to experiment. We modify this model by adding an attractive interaction of variable strength. We demonstrate that a small interaction strength has only a very small effect on the static properties of the melt. For a fixed strength of the potential, the chemical potential is measured by a modified particle-insertion method over a large range of temperatures and densities. The osmotic pressure is obtained by thermodynamic integration. In contrast to the original version our extended model exhibits a positive thermal expansion. 相似文献
132.
133.
[reaction: see text] A stereocontrolled synthesis of the DE fragment (2) of the marine alkaloid upenamide (1) is described. The synthesis proceeds in 12 steps from caprolactone (10) and 20-25% overall yield. 相似文献
134.
Wally L. Chang Kurt C. Frisch Kaneyoshi Ashida 《Journal of polymer science. Part A, Polymer chemistry》1989,27(11):3619-3635
Two component interpenetrating networks (IPNs) of the SIN type (simultaneous interpenetrating networks), composed of a polyisocyanurate network and a star-shaped nylon 6, were made. The overall polymerization rates and physical properties for reaction injection molding (RIM) have been studied by the quasi-adiabatic process. In order to model the actual rapid molding conditions, time versus temperature reaction profiles were measured, and the relative rates of polymerization subsequently determined from these data. 相似文献
135.
Synthesis and Crystal Structure of the Nitrido Complex [Na-15-crown-5]2[MoNF4]2 · 2 CH3CN The title compound is synthesized by the reaction of [MoCl4(NSCl)]2 with excess NaF in boiling acetonitrile in the presence of the crown ether 15-crown-5. [Na-15-crown-5]2[MoNF4]2 · 2 CH3CN forms yellow crystals, which were characterized by an X-ray structure determination. Space group P1 , Z = 1. Lattice dimensions at ?90°C: a = 855.5, b = 1 069.9, C = 1 143.5 pm, α = 105.71°, β = 95.29°, γ = 102.25° (4 096 independent observed reflexions, R = 0.039). Short Na…?F contacts of 234 pm with the four axial fluoro ligands of the dimeric anion [MoNF4]22? allow formulation of a triple ion. The centrosymmetric anion is dimerized by bent fluoro bridges with Mo? F distances of 198 and 245 pm. The long Mo? F distances of the MoF2Mo ring are in transposition to the nitrido ligands, the bond lengths of which (165 pm) correspond to triple bonds. 相似文献
136.
Synthesis, IR Spectrum, and Crystal Structure of N,N'-Bis(trimethylsilyl)benzamidinium Tetrachloroferrate(III) The title compound [C6H5? C(NHSiMe3)2][FeCl4] is obtained by the reaction of FeCl3 with N,N,N'-tris(trimethylsilyl)benzamidine in the presence of tetrahydrofurane, forming yellow, moisture sensitive crystals. The compound is characterized by its IR spectrum as well as by an X-ray structure determination. Space group P21/n, Z = 8, 5974 independent observed reflexions, R = 0.066. The lattice dimensions are at ?70°C: a = 2110.7, b = 1109.5, c = 2120.4 pm; β = 111.17º. The compound forms ion pairs, in which the H atoms of the amidinium cation are coordinated with one chlorine ligand of the FeCl4? ion in a chelating manner. 相似文献
137.
Atom transfer radical polymerization conditions with copper(I) bromide/2,2′-bipyridine (Cu/2,2′-bpy) as the catalyst system were employed for the homopolymerization and random copolymerization of 1-phenoxycarbonyl ethyl methacrylate (PCMA) with methyl methacrylate (MMA). Temperature studies indicated that the polymerizations occurred smoothly in bulk at 110 °C. Poly(PCMA)(polydispersity index=1.27) homopolymer was characterized and then used as macroinitiator for increasing its molecular weight. The homopolymerization of PCMA was also carried out under free radical conditions using 2,2′-azobisisobutyronitrile as an initiator.The monomer and polymers were characterized by FT-IR and 1H and 13C-NMR techniques. The glass transition temperatures, the solubility parameters and average-molecular weights of the polymers were determined. Thermal stabilities of the polymers were given as compared with each other by using TGA curves. Thermal degradation products of poly(PCMA)s obtained by ATRP and free radical polymerization were compared with each other by using 1H-NMR technique. 相似文献
138.
Enrique Murillo Yesury Mosquera Tibor Kurtán Gergely Gulyás‐Fekete Veronika Nagy József Deli 《Helvetica chimica acta》2012,95(6):983-988
From the ripe fruits of red mamey (Pouteria sapota), two new carotenoids, 3′‐deoxycapsorubin and 3,3′‐dideoxycapsorubin, were isolated and identified based on their UV/VIS, CD, 1H‐NMR, and mass spectral data. 相似文献
139.
140.
The reaction of Ph3SnCl, (R4N)2[Mo6O19] and (R4N)OH in a molar ratio of 6:1:10 leads to the formation of (R4N)[(Ph3Sn)MoO4] (R = nPr ( 1 ), nBu ( 2 )). Compounds 1· CH3CN and 2 have been charactarized by IR spectroscopy and single crystal X‐ray diffraction. 1· CH3CN forms orthorhombic crystals, space group P212121 with a = 1339.9(2), b = 1508.9(2), c = 1733.2(3) pm. 2 crystallizes in the monoclinic space group P21 with a = 1342.6(2), b = 2280.3(4), c = 1344.0(2) pm, β = 118.34(1). Both compounds 1 and 2 consist of isolated R4N+ cations and polymeric $\rm^{1}_{\infty}$ [(Ph3Sn)MoO4]– chains with an alternating arrangement of Ph3Sn+ and MoO42– groups. Treatment of (Ph3Sn)2MoO4 with bis(ethylenediamine)copper(II) succinate yields [Cu(en)2(Ph3Sn)2(MoO4)2] ( 3 ). The zinc derivative [Zn(en)2(Ph3Sn)2(MoO4)2] ( 4 ) is obtained similarly by reaction of (Ph3Sn)2MoO4 with bis(ethylenediamine)zinc(II) formiate. Compounds 3· 2DMF · EtOH and 4· 2DMF · EtOH crystallize in the monoclinic space group P21/n with a = 1998.0(2), b = 1313.3(1), c = 2181.6(2) pm, β = 90.97(1)° for 3 and a = 2015.4(1), b = 1316.7(1), c = 2157.0(1) pm, β = 90.40(1)° for 4 . Like in the cases of 1 and 2, polymeric $\rm^{1}_{\infty}$ [(Ph3Sn)MoO4]– chains are observed. The [M(en)2]2+ units (M = Cu, Zn) act as linkers between the $\rm^{1}_{\infty}$ [(Ph3Sn)MoO4]– chains to give 2D layer structures with (6, 3) net topology. 相似文献