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31.
Malykhina L. V. Prosvirin A. V. Haase W. Galyametdinov Yu. G. 《Russian Chemical Bulletin》2001,50(3):488-493
The reaction of Schiff"s base L with lanthanide alkylsulfates affords liquid crystalline complexes with the general formula L3Ln(CnH2n+1OSO3)3. The liquid crystalline structure and magnetic properties are studied by polarization thermal microscopy, differential scanning calorimetry, X-ray diffraction, and measurement of magnetic susceptibility. The temperatures of the existence of the mesophase and magnetic anisotropy of the complexes with the same lanthanide depend on the chain length of the alkyl fragment in the sulfate anion. 相似文献
32.
Properties of Sr2Cu(PO4)2 and Ba2Cu(PO4)2 having [Cu(PO4)2]∞ linear chains in their structures with Cu-O-P-O-Cu linkages were studied by magnetic susceptibility (T=2-400 K, H=100 Oe) and specific heat measurements (T=0.45-21 K). Magnetic susceptibility versus temperature curves, χ(T), showed broad maxima at TM=92 K for Sr2Cu(PO4)2 and TM=82 K for Ba2Cu(PO4)2 characteristic of quasi-one-dimensional systems. The χ(T) data were excellently fitted by the spin susceptibility curve for the uniform S=1/2 chain (plus temperature-independent and Curie-Weiss terms) with g=2.153(4) and J/kB=143.6(2) K for Sr2Cu(PO4)2 and g=2.073(4) and J/kB=132.16(9) K for Ba2Cu(PO4)2 (Hamiltonian H=JΣSiSi+1). The similar J/kB values were obtained from the specific heat data. No anomaly was observed on the specific heat from 0.45 to 21 K for both compounds indicating that the temperatures of long-range magnetic ordering, TN, were below 0.45 K. Sr2Cu(PO4)2 and Ba2Cu(PO4)2 are an excellent physical realization of the S=1/2 linear chain Heisenberg antiferromagnet with kBTN/J<0.34% together with Sr2CuO3 (kBTN/J≈0.25%) and γ-LiV2O5 (kBTN/J<0.16%). Sr2Cu(PO4)2 and Ba2Cu(PO4)2 were stable in air up to 1280 and 1150 K, respectively. 相似文献
33.
The review surveys methods for the synthesis, as well as structures and properties of sulfur-containing iron nitrosyl complexes serving as models of active sites of [Fe—S] nitrosyl proteins, which are potential donors of nitrogen monoxide.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 2326–2345, November, 2004. 相似文献
34.
在INDO/CI方法基础上, 用自己编制的计算二阶非线性极化系数β_(ijk)程序, 计算了苯胺、硝基苯、对硝基苯胺和4-硝基-4′-胺基二苯乙烯的β_(ijk), 并研究了其对外部激光场频率的依赖关系。结果表明, 分子内的电荷转移是产生非线性光学现象的根本原因, 而作为外因的激光场对二阶非线性光学系数的大小和方向也有直接的重要作用。当激光场频率与分子的共振频率接近时, 二阶非线性极化系数变得非常大, 在共振频率附近, β_(ijk)改变符号且Kleinman对称性被打破。 相似文献
35.
Yu. B. Vysotsky V. S. Bryantsev O. A. Gorban 《Chemistry of Heterocyclic Compounds》2002,38(12):1451-1468
The effects of benzannellation, phenyl substitution at the nitrogen atom, protonation at the carbene carbon, ionization, and the state of the carbene center (2 or 2) on the electronic structure, diamagnetic susceptibility, induced -electron ring currents, the 1H, 13C, and 14N chemical shifts, and the energies of the lowest electronic transitions of imidazol-2-ylidenes and their oxo and thio analogs were examined in the bound version of -electron perturbation theory. The calculated and experimental data are compared. 相似文献
36.
Karl Krmer Hans U. Güdel Gerd Meyer Thorsten Heuer Norman N. Edelstein Bernd Jung Lukas Keller Peter Fischer Eugeniusz Zych Janusz Drozdzynski 《无机化学与普通化学杂志》1994,620(8):1339-1345
The ternary uranium(III) halides A2UX5 (A = K, Rb; X = Cl, Br, I) have been prepared from the binary components AX and UX3 in sealed tantalum containers. According to their Guinier X-ray powder patterns, they all crystallize with the K2PrCl5/Y2HfS5 type of structure. Lattice constants for ambient temperature are reported. Single-crystal structure refinemens were undertaken for K2UI5 and Rb2UCl5. Magnetic susceptibility data were recorded with a SQUID magnetometer from liquid helium to room temperature. One-dimensional (intrachain) and three-dimensional antiferromagnetic ordering occur at low temperatures dependent upon the U3+? U3+ distance. Absorption spectra were recorded between 4 000 and 28 000 cm?1. They show f—f transitions typical for U3+ and, depending on the halide, very strong f—d transitions above 14 000 to 15 000 cm?1, respectively. 相似文献
37.
The interaction Hamiltonian within the Bloch gauge for the potentials of the electromagnetic field has been used to define magnetic multipole moment operators and operators for the magnetic field of electrons acting on the nuclei of a molecule in the presence of nonhomogeneous external magnetic field. Perturbation theory has been applied to evaluate the induced electronic moments and magnetic field at the nuclei. Multipole magnetic susceptibility and nuclear magnetic shielding tensors have been introduced to describe the contributions arising in nonuniform fields, and their origin dependence has been analyzed. Extended numerical tests on the ammonia molecule in a static, nonuniform magnetic field have been carried out, using the random-phase approximation within the framework of accurate Hartree-Fock zero-order wavefunctions, and allowing for both angular momentum and torque formalisms in the calculation of paramagnetic contributions. 相似文献
38.
Rodion V. Panin Nellie R. Khasanova Evgeny V. Antipov Walter Schnelle 《Journal of solid state chemistry》2007,180(5):1566-1574
NaPd3O4, Na2PdO3 and K3Pd2O4 have been prepared by solid-state reaction of Na2O2 or KO2 and PdO in sealed silica tubes. Crystal structures of the synthesized phases were refined by the Rietveld method from X-ray powder diffraction data. NaPd3O4 (space group Pm3¯n, a=5.64979(6) Å, Z=2) is isostructural to NaPt3O4. It consists of NaO8 cubes and PdO4 squares, corner linked into a three-dimensional framework where the planes of neighboring PdO4 squares are perpendicular to each other. Na2PdO3 (space group C2/c, a=5.3857(1) Å, b=9.3297(1) Å, c=10.8136(2) Å, β=99.437(2)°, Z=8) belongs to the Li2RuO3-structure type, being the layered variant of the NaCl structure, where the layers of octahedral interstices filled with Na+ and Pd4+ cations alternate with Na3 layers along the c-axis. Na2PdO3 exhibits a stacking disorder, detected by electron diffraction and Rietveld refinement. K3Pd2O4, prepared for the first time, crystallizes in the orthorhombic space group Cmcm (a=6.1751(6) Å, b=9.1772(12) Å, c=11.3402(12) Å, Z=4). Its structure is composed of planar PdO4 units connected via common edges to form parallel staggered PdO2 strips, where potassium atoms are located between them. Magnetic susceptibility measurements of K3Pd2O4 reveal a Curie-Weiss behavior in the temperature range above 80 K. 相似文献
39.
T. Tsuchiya T. Sei Y. Watanabe M. Mori T. Kineri 《Journal of Sol-Gel Science and Technology》1997,8(1-3):685-688
Gold-dispersed BaTiO3, PGO and PLT thin films, which will be used for third-order nonlinear optical devices, were prepared by sol-gel process with
spin-coating using HAuCl44H2O, Ba(CH3COO)2, Ti[O(CH2)3CH3]4, Pb(CH3COO)23H2O, Ge[O-n-C4H9]4, La(CH3COO)31.5 H2O as starting materials. The thin films were heat-treated in air at temperatures ranging from 400 to 800 for 1 h. The nonlinear
optical property of these thin films was measured by the degenerate four-wave mixing (DFWM) method using a frequency-doubled
Nd: YAG laser with 20 ps pulse duration. Third-order nonlinear susceptibility χ(3) of gold-dispersed BaTiO3, PGO and PLT thin films with 5 vol% of gold were 1.410−6 esu, 3.510−7 esu respectively. The large χ(3) may be ascribed to the high dielectric constant of the films. 相似文献
40.
Low-dimensional systems are formed by planar metal dithiolene complexes which stack as columnar structures in the solid state.
Stronger interactions among units within a chain leads to highly anisotropic magnetic properties. The magnetic effects are
a manifestation of exchange interaction,J and can be studied through detailedepr techniques in conjunction with magnetic susceptibility and x-ray crystal structure. A brief review of such studies carried
out mostly in our laboratory is presented along with the relevant background materials. 相似文献