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71.
I. I. Chuev S. M. Aldoshin E. G. Atovmyan D. B. Frolov A. N. Utenyshev 《Russian Chemical Bulletin》1996,45(4):851-855
N-Thenylidene- andN-(o-nitrobenzylidene)hydrazides of isonicotinic acid have been studied by X-ray structural analysis and IR spectroscopy. In the crystalline state, these molecules are linked through intermolecular N—H ... Npy hydrogen bonds. Carbonyl groups are not involved in intermolecular hydrogen bonds. However, it was found that the C=O group participates in an attractive interaction with the sulfur atom of the thiophene group. The energy of this interaction is comparable with the energies of intermolecular C=O ... H—N hydrogen bonds in amides.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 896–900, April, 1996. 相似文献
72.
G. A. Jeffrey 《Journal of inclusion phenomena and macrocyclic chemistry》1984,1(3):211-222
There are three general classes of hydrate inclusion compounds: the gas hydrates, the per-alkyl onium salt hydrates, and the alkylamine hydrates. The first are clathrates, the second are ionic inclusion compounds, the third are semi-clathrates. Crystallization occurs because the H2O molecules, like SiO2, can form three-dimensional four-connected nets. With water alone, these are the ices. In the inclusion hydrates, nets with larger voids are stabilized by including other guest molecules. Anions and hydrogen-bonding functional groups can replace water molecules in these nets, in which case the guest species are cations or hydrophobic moieties of organic molecules. The guest must satisfy two criteria. One is dimensional, to ensure a comfortable fit within the voids. The other is functional. The guest molecules cannot have either a single strong hydrogen-bonding group, such as an amide or a carboxylate, or a number of moderately strong hydrogen-bonding groups, as in a polyol or a carbohydrate.The common topological feature of these nets is the pentagonal dodecahedra: i.e., 512-hedron. These are combined with 51262-hedra, 51263-hedra, 51264-hedra and combinations of these polyhedra, to from five known nets. Two of these are the well-known 12 and 17 Å cubic gas hydrate structures,Pm3n, Fd3m; one is tetragonal,P4
2/mnm, and two are hexagonal,P6
3/mmc andP6/mmm. The clathrate hydrates provide examples of the two cubic and the tetragonal structures. The alkyl onium salt hydrates have distorted versions of thePm3n cubic, the tetragonal, and one of the hexagonal structures. The alkylamine hydrate structures hitherto determined provide examples of distorted versions of the two hexagonal structures.There are also three hydrate inclusion structures, represented by single examples, which do not involve the 512-hedra. These are 4(CH3)3CHNH2·39H2O which is a clathrate; HPF6·6H2O and (CH3)4NOH·5H2O which are ionic-water inclusion hydrates. In the monoclinic 6(CH3CH2CH2NH2)·105H2O and the orthorhombic 3(CH2CH2)2NH·26H2O, the water structure is more complex. The idealization of these nets in terms of the close-packing of semi-regular polyhedra becomes difficult and artificial. There is an approach towards the complexity of the water salt structures found in the crystals of proteins. 相似文献
73.
WEN Jian-Xun YIN Hui-Yong CHEN QiShanghai Institute of Organic Chemistry Chinese Academy of Sciences Shanghai China 《中国化学》1995,13(6):515-519
A homologous series of n-butyl-4-[4-((4-n-alkoxyl-tetrafluorophenyl)ethynyl)benzyloxy]benzoates have been synthesized.Their phase transition temperatures have also measured by polarizing textural observation and confirmed by DSC. 相似文献
74.
Synthesis and Structure of Silver(II) Tetrafluoroaurate(III) Ag[AuF4]2 Intensive green single crystals of Ag[AuF4]2 can be obtained by heating up micro crystalline Ag[AuF4]2 in autoclaves (p(F2) ~ 200 bar, T ~ 400°C, t ~ 14 d). It crystallizes monoclinic, space group P21/n ? C; (No. 14) with a = 522.3(1), b = 1101.3(3), c = 550.5(2) pm, β = 94.98(3), Z = 2 and is isotypic with Pd[AuF4]2. 相似文献
75.
Ba2BiV3O11 containing Bismuth within closed Coordination A new barium bismuth oxovanadate, Ba2BiV3O11, was prepared and investigated by X-Ray single crystal technique. It crystallizes with monoclinic symmetry space group C—P21/a, lattice constants a = 24.6473; b = 7.7347; c = 5.6375 Å, β = 103.16°; Z = 4. Octahedra arround Bi3+, tetrahedra and double tetrahedra arround V5+ form a tunnel structure. The tunnel positions are occupied by Ba(2). 相似文献
76.
An organic-inorganic compound [Cu(2,2'-bpy)2][{Cu(2,2'-bpy)2}2W12O4o(H2)]·4H2O (Mr = 4048.00) was prepared from the hydrothermal reaction of Na2WO4·2H2O, CuCl2·2H2O,2,2'-bipyridine (2,2'-bpy) and H2O at 160 ℃ for 4 days. The compound crystallizes in the monoclinic system, space group P21/n with a = 18.9196(8), b = 20.4212(8), c = 21.8129(9)(A), β=96.992(3)°, V= 8365.0(6) (A)3, Dc= 3.214 g/cm3, Z = 4,μ(MoKα) = 17.269 mm-1 and F(000) = 7324.Of the 119837 total reflections, 17315 were unique (Rint = 0.0489). The final R = 0.0385 and wR =0.0770 for 11142 observed reflections with I > 2σ(I). Single-crystal X-ray diffraction reveals that the structure is composed of [{Cu(2,2'-bpy)2}2W12O40(H2)]2- anions, discrete [Cu(2,2'-bpy)2]2 cations and lattice water molecules, and the anion is made up of a {W12O40(H2)}6- α-Keggin core decorated with two {Cu(2,2'-bpy)2}2 groups through bridging oxygen atoms. 相似文献
77.
Within the framework of density functional theory, we have computed structural and vibrational properties of high-κ dielectric oxides, HfO2 and TiO2. We have considered different polytypes of these oxides and computed the corresponding static dielectric constants in order to investigate what are the more promising materials suitable for technological application. We found the flourite phase of hafnium dioxide, that is a promising candidate as gate oxide in ultra-scaled complementary metal-oxide-semiconductor (CMOS) technology, is structurally unstable due to the presence of soft phonon modes that have wave-vectors in the region of the Brillouin zone containing the K- and X-points. According to our results, the fluorite TiO2 is structurally unstable as well but, contrary to HfO2, the soft phonon modes have wave-vectors in the whole Brilouin zone. Calculations of the thermodynamical properties of the baddeleyite HfO2, the stable phase at ambient condition, complete the work. 相似文献
78.
甲基红掺杂液晶E7的光限幅特性研究 总被引:2,自引:0,他引:2
研究了甲基红染料掺杂的液晶混合物E7对波长为 5 32nm的纳秒脉冲激光的光限幅特性 ,观察了激光通过液晶盒后的远场光强分布及其随入射光能量的变化。实验发现 ,对于厚度为 4 6 μm ,重量体积比为 6mg/ 0 5ml的甲基红染料掺杂的液晶混合物E7薄膜 ,其最初三次测试的箝位输出值分别为 0 70 μJ,1.0 0 μJ和 1 5 2 μJ ,输入限幅阈值在 2 3~ 2 8μJ之间。这种薄膜的极低箝位输出特性对用于人眼和传感器保护的光限幅应用很有意义 相似文献
79.
80.