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91.
Guohai Deng Shujun Lei Dr. Sudip Pan Jiaye Jin Prof. Guanjun Wang Prof. Lili Zhao Prof. Mingfei Zhou Prof. Gernot Frenking 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(46):10487-10500
Homoleptic Group 4 metal carbonyl cation and neutral complexes were prepared in the gas phase and/or in solid neon matrix. Infrared spectroscopy studies reveal that both zirconium and hafnium form eight-coordinate carbonyl neutral and cation complexes. In contrast, titanium forms only the six-coordinate Ti(CO)6+ and seven-coordinate Ti(CO)7. Titanium octacarbonyl Ti(CO)8 is unstable as a result of steric repulsion between the CO ligands. The 20-electron Zr(CO)8 and Hf(CO)8 complexes represent the first experimentally observed homoleptic octacarbonyl neutral complexes of transition metals. The molecules still fulfill the 18-electron rule, because one doubly occupied valence orbital does not mix with any of the metal valence atomic orbitals. Zr(CO)8 and Hf(CO)8 are stable against the loss of one CO because the CO ligands encounter less steric repulsion than Zr(CO)7 and Hf(CO)7. The heptacarbonyl complexes have shorter metal−CO bonds than that of the octacarbonyl complexes due to stronger electrostatic and covalent bonding, but the significantly smaller repulsive Pauli term makes the octacarbonyl complexes stable. 相似文献
92.
Starting with the definition of oxidation number and the development of its concept, the controversial issues in the teaching of oxidation number were discussed in this paper, and the rule that the positive oxidation number of the element should be less than or equal to the total numbers of valence electrons of the atom was put forward to determine the oxidation number. Additionally, the calculation of oxidation number in the compounds with complex structure and unknown structure has been resolved. 相似文献
93.
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95.
长波红外主被动复合成像中目标检测仿真研究 总被引:1,自引:0,他引:1
给出了Jeffrey H. Shapiro等人的目标检测算法,以及在该算法基础上推导出的七个目标检测公式。自行编程设计和实现了仿真实验。在理想情况下,通过仿真对检测性能进行了对比,从仿真结果可知, ?孜的取值在5 dB附近或者大于5 dB时,在激光雷达的工作范围内(CNR≈10~30 dB),综合利用主被动两种信息进行目标检测的性能要优于仅利用其中任何一种信息进行目标检测的性能,综合利用主被动三种信息进行目标检测的性能要优于仅利用其中任何一种信息以及两两信息组合进行目标检测的性能。强度像、距离像与被动红外融合时的检测性能最高,从而验证了长波红外主被动复合成像的优越性。同时,讨论了理想情况下子帧大小对目标检测公式性能的影响,对非理想情况进行了初步探讨。 相似文献
96.
易建新(2005)引入了两类多数投票的社会福利函数,本文用无关备选对象的独立性、匿名性、中立性等公理给出了它们的完全特征. 相似文献
97.
用液-固色谱流动相"假定"的体积分数层次结构模型,可得到质点团溶解溶质时的体积分数,进而得到共溶剂中溶质的溶解度、固定相上的溶质吸附量,从而推导出多元流动相组成与溶质保留值的关系.如三元流动相与溶质保留值的关联式为:lnk'=φB3lnk'B3 φB2lnk'B2 φB1lnk'B1 φB1(φB20.5 φB30.5)ln(q)(外Ⅱ) φB30.5φB21.0φB11.5ln(q)(外Ⅰ),经实验数据拟合,本式较其他关联式略胜一筹. 相似文献
98.
Mei-Feng Dai Ting-Ting Ju Yong-Bo Hou Fang Huang Dong-Lei Tang Wei-Yi Su 《理论物理通讯》2020,72(5):55602-112
The weighted self-similar network is introduced in an iterative way. In order to understand the topological properties of the self-similar network, we have done a lot of research in this field.Firstly, according to the symmetry feature of the self-similar network, we deduce the recursive relationship of its eigenvalues at two successive generations of the transition-weighted matrix.Then, we obtain eigenvalues of the Laplacian matrix from these two successive generations.Finally, we calculate an accurate expression for the eigentime identity and Kirchhoff index from the spectrum of the Laplacian matrix. 相似文献
99.
《Physics letters. A》2020,384(24):126453
In this article, we study the exchange coupling interactions of the equiatomic quaternary Heusler alloy CoFeTiSn, using the two methods: Monte Carlo simulations and the ab-initio method. In a first step, we use the ab-initio calculations to investigate the structural, the electronic and the magnetic properties of this alloy under the GGA method. The analysis of the energy dependence on the lattice parameter a (Å) of the equiatomic quaternary Heusler alloy CoFeTiSn, is discussed for different atomic configurations. The ferromagnetic configuration is found to be the more stable one, with an optimal lattice parameter value 6.00 Å. On the other hand, the electronic structure results show that the compound CoFeTiSn exhibits a half-metallic character and a spin polarization of 100% at the Fermi-level. The total magnetic moment of this alloy is found to be equal to 2.00 μB which follows the Slater Pauling rule. Our results support the half-metallic behavior of the studied material. In order to complete this study, we reported the dependence of the critical transition temperature as a function of the parameter α of the equiatomic quaternary Heusler alloy CoFeTiSn. We showed that the critical temperature increases almost linearly with an increase of the values of the parameter α. 相似文献
100.
In this work we study the semileptonic decay of ${\bar{B}}_{s}^{0}\to \phi {l}^{+}{l}^{-}$ (l=e, μ, τ) with the QCD sum rule method. We calculate the ${\bar{B}}_{s}^{0}\to \phi $ translation form factors relevant to this semileptonic decay, then the branching ratios of ${\bar{B}}_{s}^{0}\to \phi {l}^{+}{l}^{-}$ (l=e, μ, τ) decays are calculated with the form factors obtained here. Our result for the branching ratio of ${\bar{B}}_{s}^{0}\to \phi {\mu }^{+}{\mu }^{-}$ agree very well with the recent experimental data. For the unmeasured decay modes such as ${\bar{B}}_{s}^{0}\to \phi {e}^{+}{e}^{-}$ and ${\bar{B}}_{s}^{0}\to \phi {\tau }^{+}{\tau }^{-}$ , we give theoretical predictions. 相似文献