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21.
π‐Allyl (η3‐C3H5), a four‐electron donor, was used as a ligand model to replace η5‐C5Me4SiMe3 in DFT calculations on the tetranuclear yttrium polyhydrido complex (η5‐C5Me4SiMe3)4Y4H8 containing a Y4H8 tetrahedral core structure, which may separate the four π‐allyl groups and hence suppress the allyl ligand coupling during the computation. In terms of the calculated core geometry, isomerization energy barrier, charge population, and frontier orbital features of the complex, the η3‐C3H5 ligand model is comparable to η5‐C5H5. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
22.
V. V. Gavrilenko L. A. Chekulaeva I. A. Savitskaya I. A. Garbuzova 《Russian Chemical Bulletin》1992,41(11):1957-1959
A convenient and practical method is proposed for the synthesis of lanthanide and yttrium alkoxides. The method involves dissolving the metals or their hydrides in a solution of dry HCl in the corresponding alcohol, with subsequent dehalogenation of the LnCl3 solution by an equivalent amount of alkali metal (Na, Li), The rareearth alkoxides are easily converted into acetylacetonates Ln(acac)3 by the action of acetylacetone.A. N. Nesmeyanov Institute of Elementoorganic Compounds, Russian Academy of Sciences, 117813 Moscow. Translated fromIzvestiya Akademii Nauk, Seriya Khimicheskaya, No. 11, pp. 2490–2493, November, 1992. 相似文献
23.
S.I. Lopatin S.M. Shugurov Z.G. Turnina 《The Journal of chemical thermodynamics》2006,38(12):1706-1710
In the present study, the stability of gaseous barium silicates was confirmed by the high temperature mass spectrometry. On the basis of equilibrium constants measured for gas-phase reactions, the standard formation enthalpies were determined for gaseous barium silicates as (−510 ± 15) kJ · mol−1 and (−884 ± 18) kJ · mol−1 at 298 K; standard atomization enthalpies as (1637 ± 17) kJ · mol−1 and (2318 ± 20) kJ · mol−1 at 298 K for BaSiO2 and BaSiO3, respectively. Based on the results obtained the critical analysis of the literature data was carried out. 相似文献
24.
Ji-Guang LiTakayasu Ikegami Yarong WangToshiyuki Mori 《Journal of solid state chemistry》2002,168(1):52-59
A novel carbonate (co)precipitation method, employing nitrates as the starting salts and ammonium carbonate as the precipitant, has been used to synthesize nanocrystalline CeO2 and Ce1−xYxO2−x/2 (x≤0.35) solid-solutions. The resultant powders are characterized by elemental analysis, differential thermal analysis/thermogravimetry (DTA/TG), X-ray diffractometry (XRD), Brunauer-Emmett-Teller (BET) analysis, and high-resolution scanning electron microscopy (HRSEM). Due to the direct formation of carbonate solid-solutions during precipitation, Ce1−xYxO2−x/2 solid-solution oxides are formed directly during calcination at a very low temperature of ∼300°C for 2 h. The thus-produced oxide nanopowders are essentially non-agglomerated, as revealed by BET in conjunction with XRD analysis. The solubility of YO1.5 in CeO2 is determined via XRD to be somewhere in the range from 27 to 35 mol%, from which a Y2O3-related type-C phase appears in the final product. Y3+-doping promotes the formation of spherical nanoparticles, retards thermal decomposition of the precursors, and suppresses significantly crystallite coarsening of the oxides during calcination. The activation energy for crystallite coarsening increases gradually from 68.7 kJ mol−1 for pure CeO2 to 138.6 kJ mol−1 for CeO2 doped with 35 mol% YO1.5. The dopant effects on crystallite coarsening is elaborated from the view point of solid-state chemistry. 相似文献
25.
26.
H. Schumann F. H. Grlitz F. E. Hahn J. Pickardt Changtao Qian Zuowei Xie 《无机化学与普通化学杂志》1992,609(3):131-138
The partial hydrolysis of [O(CH2CH2C5H4)2]Y(C5H4CH3) 1 , [O(CH2CH2C5H4)2]Y(C5H5) 3 , and [O(CH2CH2C5H4)2]Ho(C5H4CH3) 5 results in the formation of [O(CH2CH2CH2C5H4)2Y(μ-OH)2]2 2 , (C5H5)3Y(OH2) 9 and (MeC5H4)3Ho(OH2) 11 . The new compounds have been characterized by elemental analyses, IR and NMR spectra. The X-ray structural analyses shows 2 to be monoclinic, space group P21/n with a = 1146.0(3), b= 1046.6(3), c = 1514.9(3) pm, β = 94.83(2)°. The molecular structure shows bridging hydroxyl groups with a mean distance Y? O = 223.8(3) pm. 11 crystallizes in the cubic space group 14 3d with a = 1847.9(3)pm with Z = 16 molecules per unit cell. The molecules posses symmetry C3-3, the coordination is trigonal pyramidal with three methylcyclopentadienyl anions and one water molecule as ligands. The distance Ho? O is 231 pm. 相似文献
27.
用过渡金属络合催化剂聚合环氧氯丙烷能获高分子量的聚合物。稀土络合催化剂对环氧乙烷,环氧丙烷及环硫丙烷的开环聚合具有明显效果。本文选用Y(acac)_3-H_2O-Al(i-Bu)_3催化剂,考察环氧氯丙烷的均聚合及其与环氧乙烷,环氧丙烷的共聚合,并用核 相似文献
28.
Studyofthegrowthprocessofcolloidalparticlesofnonequilibriumandirreversibilityisanactiveareaofresearch.Therecognitionofcolloidalaggregatesasfractalobjectshasinspiredalargenumberofexperimentalandtheoreticalstudiesonthestructuralandkineticaspectsofaggregationprocesses"'.Morerecently,kineticsofhematiteaggregationbypolyacrylicacidhavebeenstudiedbyzhangandBume3.Theprimaryhematiteparticleswerequiteuniformandfairlyspherical.Inthispaper,wewillreportthesizeevolutionoffractalaggregatesofinitiallypolydis… 相似文献
29.
Crystalline [Y(OH2)3(NCMe)(benzo-15-crown-5)][ClO4]3·benzo-15-crown-5-CH3CN can be obtained by slowly cooling a reaction mixture of Y(ClO4)3·n H2O with benzo-15-crown-5 in a solution of acetonitrile and methanol (3 : 1) from 60°C to room temperature. The crystal structure of this complex has been determined at –150 and 20°C. The complex is triclinic,P
. At –150°C the cell parameters area = 11.986(4),b = 12.071(7),c = 16.364(5) Å, = 93.56(3), = 98.68(3), = 109.68(4)°, vol = 2187 Å3, andD
calc = 1.61 g cm–3 forZ = 2 formula units. 3633 independently observed [F
o 5(F
o)] reflections were used in the final least-squares refinement leading to an agreement index ofR = 0.048. The Y(III) ion coordination geometry approximates a tricapped trigonal prism with three water molecules and three benzo-15-crown-5 oxygen atoms forming the prism, with the two remaining benzo-15-crown-5 oxygen atoms and the acetonitrile molecule completing the coordination as capping atoms. The three water molecules hydrogen bond a second crown ether molecule and two of the perchlorate anions. The two acetonitrile molecules have contacts with perchlorate oxygen atoms close enough for some weak interaction. One perchlorate is ordered, one is partially disordered as is the coordinated solvent molecule, and the third anion is totally disordered. The two unique crown ether molecules have distinctively different conformations.For Part 20, see reference [1]. 相似文献
30.
Bengi Yilmaz 《光谱学快报》2014,47(1):24-29
In this study, nano hydroxyapatite doped with yttrium (2.5, 5, and 7.5 mol%) and fluoride (2.5 mol%) ions were synthesized by precipitation method and sintered at 900°C, 1100°C, and 1300°C. Raman spectroscopy was applied to track the structural modifications in pure and doped hydroxyapatites. The results showed that the main characteristic band of pure hydroxyapatite at 963 cm?1 was not affected significantly by ion doping but exhibited higher intensity with increasing sintering temperature. Due to fluoride substitution, the 1048 and 1034 cm?1 bands of pure hydroxyapatites appeared with a wavenumber shift in the spectra of ion-doped hydroxyapatites. The 333 cm?1 band of pure hydroxyapatite disappeared and an additional calcium–fluor bond at 322 cm?1 was observable in ion-doped hydroxyapatites. Two fluorescence bands at 770 and 697 cm?1, which were also observed in the spectra of pure hydroxyapatites, shifted to higher wavenumbers in the spectra of ion-doped hydroxyapatites. This was considered to result from the perturbation in the hexagonal structure of hydroxyapatite due to yttrium and fluoride codoping. 相似文献