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981.
Ingo Hartenbach Falk Lissner Tanja Nikelski Steffen F. Meier Helge Müller‐Bunz Thomas Schleid 《无机化学与普通化学杂志》2005,631(12):2377-2382
About Lanthanide Oxotantalates with the Formula MTaO4 (M = La – Nd, Sm – Lu) Besides being a by‐product of solid state syntheses in tantalum ampoules the lanthanide(III) oxotantalates of the formula MTaO4 can be easily prepared by sintering lanthanide sesquioxide M2O3 and tantalum(V) oxide Ta2O5 with sodium chloride as flux. Under these conditions two structure types emerge depending upon the M3+ cationic radius. For M = La – Pr the MTaO4‐type tantalates crystallize in the space group P21/c with lattice constants of a = 762(±1), b = 553(±4), c = 777(±4) pm, β = 101(±1)° and four formula units per unit cell. With M = Nd, Sm – Lu, the monoclinic cell dimensions (space group P2/c) shrink to the lattice constants like a = 516(±9), b = 551(±9), c = 534(±9) pm, β = 96.5(±0.3)° and there are only two formula units present. Both structures show a coordination sphere of eight oxygen atoms for the lanthanide trications shaped as distorted square antiprism for the structure with the larger lanthanides (in the following referred to as A‐type) and as trigonal dodecahedron for the structure with the smaller ones (called as B‐type in the following). The coordination environment about the Ta5+ cations can be described as a slightly distorted octahedron (CN = 6) for the A‐type structure of MTaO4 and a heavily distorted one (CN = 6) for the B‐type. The difference between the two types results from the interconnection of these [TaO6]7? octahedra. Whereas they are connected via four vertices to form corrugated layers according to parallel the bc‐plane in the A‐type, the octahedra of the B‐type MTaO4 structure share edges to built up zig‐zag chains along the c axis. 相似文献
982.
本文用带有PYR-2A管式炉裂解器和C-R2AX计算机的岛津GC-9A气相色谱仪,对3株曲霉和3株青霉进行了裂解气相色谱鉴别。通过对指纹图的分析,能够较好地区分出两属之间和各菌株之间的差异,证明了裂解气相色谱分析法用于霉菌鉴别的可能性。 相似文献
983.
Unlabeled fluoroimmunoassay with a europium chelate is described. The recommended method is simple because the complicated labeling process is omitted. The recovery of some samples ranges from 91 to 111%. The relative standard deviation of the method is less than 10%. The detection limit is about 10−10mol liter−1antigen. 相似文献
984.
2-fluorobenzoic acid (2-HFBA) and 2,2′-bipyridine (2,2′-bpy) was used as ligands to react with lanthanum to obtain a complex, [La(2-FBA)3·(2,2′-bpy)]2. The structure of the complex contains three independent molecules. In two of them, the two central metal ions are connected together through four 2-FBA groups by bidentate bridging and chelating-bridging two modes. In another, the two central metal ions are connected together through four bidentate bridging 2-FBA groups. 相似文献
985.
YAN Jing-hui ZHANG Hai-yan LI Zhong-tian CAO Jie SONG Li-hong ZHANG Hui-qiu SHI Chun-shan 《高等学校化学研究》2007,23(4):395-398
Nanocrystals of KMgF3 single-doped and codoped with Ce^3+ or/and Yb^3+ were synthesized separately by the mi-croemulsion method. The X-ray diffraction(XRD) patterns were indexed to show that the KMgF3 crystal system was unchanged. The fluorescent spectra of KMgF3: Ce, Yb polycrystal powders were studied and compared with those of the Ce,Yb doped KMgF3 crystals produced using the high-temperature solid phase method. The diffuse reflection spectra and infrared emission of KMgF3: Ce, Yb were investigated. From the results, the authors could confirm that there were charge transfer processes from Ce^3+ to Yb^3+ in both KMgF3: Ce,Yb nanocrystals and polycrystal powders. 相似文献
986.
B. Montanari B. Civalleri C. M. Zicovich‐Wilson R. Dovesi 《International journal of quantum chemistry》2006,106(7):1703-1714
The equilibrium structural parameters, high‐ and low‐frequency dielectric tensors, Born effective charges, and Γ‐point vibrational frequencies of bulk Al2O3 corundum are calculated by using the periodic, ab initio program CRYSTAL, which adopts an all‐electron Gaussian‐type basis set. The effect of basis set and the performance of three different functionals, i.e., LDA, PW91, and B3LYP, are discussed. The mean absolute deviation from the measured frequencies is as small as 7 cm?1 for both the LDA and B3LYP functionals, indicating that these functionals perform extremely well in this case. The mean absolute deviation increases to 18 cm?1 when the PW91 functional is used. All three functionals reproduce the equilibrium geometry of corundum to a high level of accuracy, with LDA and B3LYP outperforming PW91 slightly. The comparison of the current all‐electron calculations with previous plane‐wave, pseudo‐potential calculations shows an overall similar performance. The results of isotopic substitution for both Al and O are also presented. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006 相似文献
987.
988.
Superabsorbent hydrogel composites 总被引:1,自引:0,他引:1
A new cost‐effective approach to enhance gel strength of superabsorbent hydrogels was invented. Superabsorbent hydrogel composites (SHCs) were prepared through an optimized rapid solution polymerization of concentrated partially neutralized acrylic acid in the presence of a crosslinking agent under normal atmospheric conditions. Kaolin was used as an inorganic component in the polymerization process to strengthen the hydrogel products. FT‐IR spectroscopy was used to confirm grafting of acrylic chains on to the surface of kaolin particles. Morphology of the products was studied by scanning electron microscopy (SEM). Compared with the kaolin‐free hydrogel (control), kaolin caused a reduced equilibrium swelling and swelling rate as low as 17–31% and 19–29%, respectively. Kaolin, however, resulted in enhanced gel strength as high as 21–35% compared to the control. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) were used to study thermal properties of the composites. The SHCs exhibited higher thermal stability than the control. Meanwhile, changes in certain thermal transitions reconfirmed the chemical interaction of the acrylic chain with kaolin. These thermostabilized strengthened superabsorbent hydrogels may be considered as good candidates for agricultural application to retain more water under soil pressure. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
989.
Fatehy M. Abdel‐Haleem Azza Salah Mahmoud S. Rizk Hussein Moustafa Mikhael Bechelany Ahmed Barhoum 《Electroanalysis》2019,31(4):778-789
Thiourea derivative‐based carbon paste electrode (TUD1‐CPE) was constructed as a potentiometric sensor for the determination of salicylate anion in pharmaceutical formulations, Aspocid® and Aspirin®. The optimized CPE contained 45.5 % graphite, 0.5 % reduced graphene oxide (rGO), 46.0 % nitrophenyl octyl ether (NPOE) plasticizer, 5.0 % TUD1 ionophore, and 3.0 % tridodecylmethyl ammonium chloride as additive. The incorporation of NPOE of high dielectric constant, and rGO in electrode caused better performance of the sensor; Nernstian response of 59.0 mV decade?1 in the concentration range of 10?1–10?5 mole L?1, a detection limit of 1×10?5 mole L?1 in a very short response time of 6 seconds. The prepared sensor showed high selectivity against similar anions (i. e. , benzoate, I?, SCN?). Selectivity was confirmed by calculating the formation constant (Kβ) using sandwich membrane method, where Kβ for TUD1‐salicylate is 100.43. Theoretical calculations at DFT‐B3LY/6‐31G** level of theory were performed to find interaction mechanism, Energies of HOMO and LUMO orbitals, non‐linear optical (NLO) properties (the electronic dipole moment (μ), first‐order hyperpolarizability (β), the hyper‐Rayleigh scattering (βHRS) and the depolarization ratio (DR)), and other global properties; these calculations showed lower values of β and DR, higher value of βHRS, and the shortest lengths of the four N?H bonds between TUD1 and salicylate which confirm their strong complexation and salicylate‐selectivity. Also, all the studied anion‐TUD1 exhibited relatively high NLO properties, and these results were considered as a preliminary study for investigating new types of NLO bearing materials. The sensors were applied successfully for the determination of salicylate anion in Aspocid® and Aspirin®. 相似文献
990.
Tetrakis(trifluoromethyl) cyclotetraarsane (F3CAs)4 ( 2 ) was used to repeat the UV initiated [4+2]‐cycloaddition reaction of the diarsene F3CAs=AsCF3 ( 1 ) with cyclohexa‐1,3‐diene (CHD) and to isolate single crystals of the cycloadduct 4 for a X‐ray diffraction analysis. 4 crystallizes in the space group and contains the diarsene group in its E‐configuration. 2 was also applied for [2+2]‐cycloaddition reactions of 1 with tBuC≡P and MeC≡CNiPr2, but in contrast to positive results with (F3CP)4 the products were too labile for isolation. However, 2 was successfully used at room temperature as precursor for coordinating 1 as π‐donor ligand to the Pd(PPh3)2 complex fragment yielding η2‐bis(trifluoromethyl)diarsene‐bis(triphenylphosphane)‐palladium(0) 5 , which was characterized by X‐ray diffraction of single crystals and by spectroscopic investigations (NMR, IR, MS). Attempts to prove the existence of the diarsene 1 , generated by different methods, by spectroscopic studies very probably failed due to its extreme reactivity, not allowing the necessary concentrations for detection. Quantum chemical calculations of the stability of 1 with respect to dimerization, the stability of the [2+2]‐cycloadduct with 1‐di(isopropyl)aminopropyne and the energy difference between 4 and the 2,3‐dimethyl‐1,3‐butadiene cycloadduct of 1 were performed to understand the considerable differences between 1 and the related diphosphene F3CP=PCF3. 相似文献