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91.
Kyriakos C. Stylianou John Bacsa Darren Bradshaw Matthew J. Rosseinsky 《无机化学与普通化学杂志》2014,640(11):2123-2131
The reaction of NiII with a tetra‐benzoate pyrene ligand produces a 3D porous framework based on infinite 1D NiII chains. The NiII–O connectivity and the formation of a hydroxo‐bridge (μ3‐OH) responsible for the connection of the central NiII atoms within the 1D NiII–(μ3‐OH)2–NiII chains can be straightforwardly compared with the TiIV–O–TiIV connectivity seen in TiO2. The arrangement of the TBAPy ligand around the 1D rutile‐based chains leads in the generation of a porous framework with two distinct types of pores; based on the chemistries of these two types of pores, one can be labelled as hydrophobic and the other as hydrophilic. The use of different activation methods results in the generation of either a porous framework free of guest molecules or a completely solvent‐free material, in which the terminal H2O molecules bound to NiII were removed, leading thus to a framework with open NiII sites. CO2 isotherms collected on both frameworks at 195 K and one barshowed type I isotherms characteristic of microporous materials (BET surface areas for: guest‐free framework: 257(3) m2 · g–1; solvent‐free framework: 362(2) m2 · g–1). The affinity of both networks at zero coverage for both CO2 and CH4 was found to be greater when the unsaturated NiII sites are available within the void space. 相似文献
92.
空间推进所用的电子回旋共振离子源(ECRIS)应具有体积小、效率高的特点. 本文研究的ECRIS使用永磁体环产生磁场, 有效减小了体积, 该离子源利用微波在磁场中加热电子, 电子与中性气体发生电离碰撞产生等离子体. 磁场在微波加热电子的过程中起关键作用, 同时影响离子源内等离子体的约束和输运. 通过比较四种磁路结构离子源的离子电流引出特性来研究磁场对10 cm ECRIS性能的影响. 实验发现: 在使用氩气的条件下, 特定结构的离子源可引出160 mA的离子电流, 最高推进剂利用率达60%, 最小放电损耗为120 W·A-1; 所有离子源均存在多个工作状态, 工作状态在微波功率、气体流量、引出电压变化时会发生突变. 离子源发生状态突变时的微波功率、气体流量的大小与离子源内磁体的位置有关. 通过比较不同离子源的引出离子束流、放电损耗、气体利用率、工作稳定性的差异, 归纳了磁场结构对此种ECRIS引出特性的影响规律, 分析了其中的机理. 实验结果表明: 保持输入微波功率、气体流量、引出电压不变时, 增大共振区的范围、减小共振区到栅极的距离, 离子源能引出更大的离子电流; 减小共振区到微波功率入口、气体入口的距离能降低维持离子源高状态所需的最小微波功率和最小气体流量, 提高气体利用率, 但会导致放电损耗增大. 研究结果有助于深化对此类离子源工作过程的认识, 为其设计和性能优化提供参考. 相似文献
93.
蓝牙无线自组织网络拓扑构成复杂且移动性强,现行的蓝牙规范并未对其拓扑构成作详细的说明。为此提出了基于蓝牙技术的自组织无线传感器网络的体系结构,阐述了系统的节点构成与硬件设计,提出了一种简单有效的网络拓扑构成算法与路由机制。实验表明,该蓝牙网络拓扑构建算法实现简单,网络拓扑创建时间为经典算法的85%,拓扑动态维护方便。 相似文献
94.
Tom Bettens Marvin Hoffmann Prof. Mercedes Alonso Em. Prof. Paul Geerlings Prof. Andreas Dreuw Prof. Frank De Proft 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(10):3397-3406
A hitherto unexplored class of molecules for molecular force probe applications are expanded porphyrins. This work proves that mechanical force is an effective stimulus to trigger the interconversion between Hückel and Möbius topologies in [28]hexaphyrin, making these expanded porphyrins suitable to act as conformational mechanophores operating at mild (sub-1 nN ) force conditions. A straightforward approach based on distance matrices is proposed for the selection of pulling scenarios that promote either the planar Hückel topology or the three lowest lying Möbius topologies. This approach is supported by quantum mechanochemical calculations. Force distribution analyses reveal that [28]hexaphyrin selectively allocates the external mechanical energy to molecular regions that trigger Hückel–Möbius interconversions, explaining why certain pulling scenarios favor the Hückel two-sided topology and others favor Möbius single-sided topologies. The meso-substitution pattern on [28]hexaphyrin determines whether the energy difference between the different topologies can be overcome by mechanical activation. 相似文献
95.
96.
水热合成了2个以D-樟脑酸(D-H2cam)与1,4-二(咪唑-1-基)丁烷(1,4-bimb)为配体的配位聚合物:[Co(D-cam)(1,4-bimb)]n·4nH2O(1)和[Ni(D-cam)(1,4-bimb)]n(2)。通过X-射线单晶衍射,元素分析,红外光谱,XRD分析,热重,和磁性分析对其结构进行了表征。测定了这两个聚合物的磁性。结构分析表明,1为P2空间群,其链状结构由氢键作用连接形成二维结构;2为Pna21空间群,呈四重穿插的dia网络结构。 相似文献
97.
A new luminescent Zn(II) compound, [Zn(pbdc)0.5(mtz)(DMPU)]n(1, H2pbdc = terephthalic acid, Hmtz = 5-methyl-1H-tetrazole, DMPU = N,N'-dimethylpropyleneurea), has been urothermally synthesized and characterized by elemental analysis, IR, X-ray powder diffraction(PXRD) and single-crystal X-ray diffraction. The title compound crystallizes in orthorhombic Pbca space group with a = 17.2649(5), b = 10.4680(3), c = 17.4457(7) ?, V = 3152.94(18) ?3, C12H17N6O3Zn, Mr = 358.71, Z = 8, Dc = 1.511 g/cm3, F(000) = 1480, μ = 1.579 mm-1, the final R = 0.0379 and wR = 0.0971 for 2785 observed reflections(I 2?(I)). Single-crystal X-ray structural analysis reveals that compound 1 features a 2D undulated layer with a 3-connected hcb topology. Moreover, the luminescent properties of 1 have also been investigated in the solid-state at room temperature. 相似文献
98.
A new three-dimensional(3D) coordination polymer, [Cd(L)2H2O]n·5nH2O 1 with 4-[(3-pyridyl)methylamino]benzoate acid(HL), has been synthesized by slow evaporation solvent at room temperature, and structurally characterized by elemental analysis, IR spectrum, thermal analysis, fluorescence spectrum and single-crystal X-ray diffraction. Compound 1 crystallizes in the tetragonal system, space group I-4, with a = 20.7937(16), c = 13.515(2), V = 5843.5(11) 3, C26H34CdN4O10, Mr = 674.97, Dc = 1.534 g/cm3, μ(MoKα) = 0.808 mm-1, F(000) = 2768, Z = 8, the final R = 0.0276 and wR = 0.0691 for 5323 observed reflections(I 2σ(I)). The result of thermal analysis shows that 1 is stable under 290 ℃. Moreover, it exhibits blue photoluminescence at room temperature. 相似文献
99.
100.
Zeinab Abdeveiszadeh Siamak Noorizadeh 《International journal of quantum chemistry》2020,120(11):e26185
DFT calculations are performed to investigate the structure, stability, and nature of chemical bonding of some neutral noble gas insertion compounds containing a Xe-Xe bond; including HXeXeR, FXeXeR as well as RXeXeR (R = CN, NC, CCH, and BS). Geometry optimization of the considered molecules anticipate the existence of just four stable compounds (HXeXeCN, HXeXeNC, FXeXeCN, and FXeXeCCH); and rest of the molecules dissociate during the structural optimization. The results of NBO and AIM calculations show that a H(F)XeXeR molecule has a covalent H(F)-Xe bond in the H(F)XeXe+ fragment, which is bonded to R− mainly through columbic interaction. Thermodynamic study indicates that all of the considered unimolecular dissociation channels for decomposition of H(F)XeXeR molecules to neutral fragments are both exothermic and exorergic; but dissociation to ionic species (H(F)XeXe+ and R−) is endothermic. Also kinetic study of the most probable dissociation reaction shows that FXeXeR molecules are metastable with respect to the global minimum F-R + 2Xe. Therefore, FXeXeCN molecule is more kinetically protected against the decomposition reaction than the other molecules and its experimental detection is more likely. 相似文献