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81.
An exemplary system suitable for optoelectronics applications, i.e. poly(3-hexylthiophene), hereinafter P3HT, deposited by spin casting onto silicon substrates functionalised by three selected molecules and then properly annealed, has been examined. Grazing Incidence X-ray Scattering (GIXS) measurements have been performed with 4-circle diffractometer, allowing for a fine control of sample axes movement.By choosing different grazing incident angles, diffraction patterns from different layers of polymeric thin films have been recorded. Both in-plane and out-of-plane geometries have been combined in order to obtain complementary structural information. In this way structural and orientational differences of the polymer along with the film thickness (?50 nm) have been highlighted. For all P3HT films spun on functionalized Si wafer, macromolecular layers close to the substrate surface give some evidence of higher order and orientation than those outmost the surface, and this behaviour is pronounced to a different extent depending on the functionalized molecules used. Contrariwise P3HT layers deposited onto bare Si wafer display reduced orientation and decreased crystallite size, especially at buried interface. 相似文献
82.
T.F. Qi M. Ge O.B. Korneta S. Parkin L.E. De Long G. Cao 《Journal of solid state chemistry》2011,184(4):893-898
Correlation between structure and transport properties are investigated in high-quality single-crystals of Ca2Ru1−xCrxO4 with 0<x<0.14 using single crystal X-ray diffraction and by electronic studies. The parent compound was known to exhibit an intriguing first-order structurally driven metal-insulator (MI) transition at 357 K. Upon chromium doping on the ruthenium site, the metal-insulator transition temperature (TMI) was drastically reduced, and is related to the competition between structural changes that occur upon Cr doping and with decreasing temperature. A strong suppression of structural distortions with increasing Cr substitution was identified. No clear TMI can be observed when x>13.5% and the system behaves as an insulator. Such a large, sharp metal-insulator transition and tuneable transition temperature may have potential applications in electronic devices. 相似文献
83.
Phase diagram, crystal chemistry and thermoelectric properties of compounds in the Ca-Co-Zn-O system
W. Wong-Ng T. Luo W.H. Tang Q. Huang S. Chattopadhyay T. Tritt 《Journal of solid state chemistry》2011,184(8):2159-2166
In the Ca-Co-Zn-O system, we have determined the tie-line relationships and the thermoelectric properties, solid solution limits, and structures of two low-dimensional cobaltite series, Ca3(Co, Zn)4O9−z and Ca3(Co,Zn)2O6−z at 885 °C in air. In Ca3(Co,Zn)4O9−z, which has a misfit layered structure, Zn was found to substitute in the Co site to a limit of Ca3(Co3.8Zn0.2)O9−z. The compound Ca3(Co,Zn)2O6−z (n=1 member of the homologous series, Can+2(Co,Zn)n(Co,Zn)′O3n+3−z) consists of one-dimensional parallel (Co,Zn)2O66− chains that are built from successive alternating face-sharing (Co,Zn)O6 trigonal prisms and ‘n’ units of (Co,Zn)O6 octahedra along the hexagonal c-axis. Zn substitutes in the Co site of Ca3Co2O6 to a small amount of approximately Ca3(Co1.95Zn0.05)O6−z. In the ZnO-CoOz system, Zn substitutes in the tetrahedral Co site of Co3O4 to the maximum amount of (Co2.49Zn0.51)O4−z and Co substitutes in the Zn site of ZnO to (Zn0.94Co0.06)O. The crystal structures of (Co2.7Zn0.3)O4−z, (Zn0.94Co0.06)O, and Ca3(Co1.95 Zn0.05)O6−z are described. Despite the Ca3(Co, Zn)2O6−z series having reasonably high Seebeck coefficients and relatively low thermal conductivity, the electrical resistivity values of its members are too high to achieve high figure of merit, ZT. 相似文献
84.
85.
A Cu(II) complex of tetra(3,5-diphenyl pyrazole) [Cu(C15H12N2)2Cl2]2 (1) was synthesized, and its structure was determined by single-crystal X-ray diffraction and further characterized by elemental analysis, NMR and IR. 1 belongs to the monoclinic system, space group P21/c with a = 13.3780(5), b = 15.1392(6), c = 15.5923(6) , β = 124.522(2)°, Z = 2 and V = 2601.86(17) 3. In 1, each Cu2+ ion is coordinated with two N atoms from two tetra(3,5-diphenyl pyrazole) ligands and three Cl- anions to give a distorted square-pyramidal geometry, which is further linked through edge-sharing bridging by Cl- anions to form a centrosymmetric dinuclear structure. 相似文献
86.
Phase equilibrium measurements of structure II clathrate hydrates of hydrogen with various promoters
Alondra Torres TruebaLaura J. Rovetto Louw J. FlorusseMaaike C. Kroon Cor J. Peters 《Fluid Phase Equilibria》2011,307(1):6-10
Phase equilibrium measurements of single and mixed organic clathrate hydrates with hydrogen were determined within a pressure range of 2.0-14.0 MPa. The organic compounds studied were furan, 2,5-dihydrofuran, tetrahydropyran, 1,3-dioxolane and cyclopentane. These organic compounds are known to form structure II clathrate hydrates with water. It was found that the addition of hydrogen to form a mixed clathrate hydrate increases the stability compared to the single organic clathrate hydrates. Moreover, the mixed clathrate hydrate also has a much higher stability compared to a pure hydrogen structure II clathrate hydrate. Therefore, the organic compounds act as promoter materials. The stabilities of the single and mixed organic clathrate hydrates with hydrogen showed the following trend in increasing order: 1,3-dioxolane < 2,5-dihydrofuran < tetrahydropyran < furan < cyclopentane, indicating that both size and geometry of the organic compound determine the stability of the clathrate hydrates. 相似文献
87.
88.
Nadezhda A. Shcherbina Anna V. Pomogaeva Anna S. Lisovenko Igor V. Kazakov Nikita Yu. Gugin Olesya V. Khoroshilova Yuri V. Kondrat'ev Alexey Y. Timoshkin 《无机化学与普通化学杂志》2020,646(13):873-881
Complexes formed by interaction of E(C6F5)3 (E = B, Al, Ga, In) with excess of acetonitrile (AN) were structurally characterized. Quantum chemical computations indicate that for Al(C6F5)3 and In(C6F5)3 the formation of a complex of 1:2 composition is more advantageous than for B(C6F5)3 and Ga(C6F5)3, in line with experimental observations. Formation of the solvate [Al(C6F5)3 · 2AN] · AN is in agreement with predicted thermodynamic instability of [Al(C6F5)3 · 3AN]. Tensimetry study of B(C6F5)3 · CH3CN reveals its stability in the solid state up to 197 °C. With the temperature increase, the complex undergoes irreversible thermal decomposition with pentafluorobenzene formation. 相似文献
89.
The new scandium(III) carbodiimides Sc2(CN2)3 and Sc2O2(CN2) were prepared by solid-state metathesis reactions between Li2(CN2) and ScCl3 and, regarding Sc2O2(CN2), Sc2O3 was added. The X-ray powder diffraction pattern refinements lead to a trigonal-rhombohedral (R3 c) crystal system for Sc2(CN2)3 and to an orthorhombic (Immm) crystal system for Sc2O2(CN2). The structure of Sc2(CN2)3 is isotypic to the well-known rare earth carbodiimides RE2(CN2)3 with the smaller cations RE = Tm, Yb, and Lu, whereas Sc2O2(CN2) is not isotypic to the known RE2O2(CN2) (RE = Y, La, Ce–Gd, except Pm) compounds. Both crystal structures are represented by layered arrangements of scandium, respectively scandium and oxide, alternating with carbodiimide layers. 相似文献
90.
The stannides RE2Au3Sn6 (RE = La, Ce, Pr, Nd, Sm) were synthesized from the elements by arc-melting. Small single crystals were grown by annealing samples in sealed tantalum tubes in an induction furnace with a special annealing sequence. The polycrystalline phases were characterized through their X-ray powder diffraction pattern. The structures of Ce2Au3Sn6, Pr2Au3Sn6, and Nd2Au3Sn6 were refined from single-crystal X-ray diffractometer data. The RE2Au3Sn6 stannides crystallize with the orthorhombic La2Zn3Ge6 type, space group Cmcm. The basic structural building units are Au1@Sn4 tetrahedra and Au2@Sn5 square pyramids. These units are condensed to layers and the structure can be described by a simple stacking of tetrahedral and pyramidal layers with the rare earth cations in between. Temperature dependent susceptibility studies indicate that all rare earth atoms are in the trivalent oxidation state, as their effective magnetic moments match the expected values of the free RE3+ ions. Pr2Au3Sn6 and Nd2Au3Sn6 exhibit antiferromagnetic ordering at TN = 6.3(1) and 6.7(1) K. Investigations of the electrical resistivity of La2Au3Sn6 and Ce2Au3Sn6 confirmed that these compounds are metallic, for La2Au3Sn6 a lower resistivity was observed, in line with the absence of screening unpaired electrons. 119Sn Mössbauer spectra for La2Au3Sn6, Ce2Au3Sn6, Pr2Au3Sn6 and Nd2Au3Sn6 show a complex superposition of three sub-spectra which can be differentiated through their distinctly different quadrupole splitting parameters. The isomer shifts (1.87 to 2.22 mm · s–1) indicate significant s electron density at the tin nuclei. 相似文献