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排序方式: 共有4332条查询结果,搜索用时 31 毫秒
941.
Pontes F. M. L. Oliveira S. F. Espínola J. G. P. Arakaki L. N. H. Fonseca M. G. Airoldi C. 《Journal of Thermal Analysis and Calorimetry》2004,75(3):975-988
Solid adducts SbX3·L-pic (X=Cl, I and L=α-, β- and γ-picolines) were synthesized and characterized by elemental analysis, 1H and 13C NMR, IR spectroscopy and thermal analysis. The infrared spectroscopy and the magnetic resonance for 1H and 13C nuclei of these compounds suggest that the ligands coordinate through nitrogen atom. Kinetic studies were accomplished by
means of thermogravimetric data, through isothermal and non-isothermal techniques. The best adjusting models for adducts thermal
decomposition were R1 for isothermal and R1 and R2 for the non-isothermal methods. The energy of activation values obtained by isothermal method indicate the following orders
of thermal stability for adducts: i) SbCl3·α-pic>SbCl3·β-pic>SbCl3·γ-pic and ii) SbI3·β-pic>SbI3·γ-pic>SbI3·α-pic. The activation energy values obtained by non-isothermal were higher than those from isothermal methods, showing the
order of stability:iii) SbCl3·α-pic<SbCl3·β-pic<SbCl3·γ-pic and iv) SbI3·β-pic>SbI3·α-pic=SbI3··γ-pic. These obtained data through R1 model presented the kinetic compensation effect for trichloride adducts, which could be associated to both isothermal and
non-isothermal processes.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
942.
The novel copper(Ⅱ) complex with salicylaldehyde benzoylhydrazone and pyridine ligands, Cu(C14H10N2O2)(C5H5N), has been synthesized and characterized by elemental analysis, IR and thermal analysis. The crystal structure of the title complex has been determined by single crystal X-ray diffraction techniques. The crystal belongs to monoclinic with space group P21/c. The cell parameters are: a=1.6362(9)nm, b=1.7140(9)nm, c=1.2255(7)nm, β=105.168(9)°, V=3.317(3)nm3, Z=8, Dc=1.525g·cm-3, μ(MoKα)=1.334mm-1, F(000)=1560. The structure was refined to final R1=0.0376, wR2=0.0909. The copper(Ⅱ) ion lies in a dis-torted square-planar environment composed of two oxygen atoms, one nitrogen atom of tridentate acyhydrazone Schiff base ligand and one nitrogen atom of the pyridine ligand. CCDC: 193111. 相似文献
943.
杨忠志 《中国科学B辑(英文版)》1998,41(2):174-181
Inrecentdecades,greatprogresshasbeenmadeinthedensityfunctionaltheoryanditsapplications.HohenbergKohntheoremisitsbasis.Takingtheoneelectrondensityasafundamentalvariable,thistheorytreatsthetotalenergyE[ρ]oftheelectronicgroundstateforamoleculeasafunctional… 相似文献
944.
F. Taneri T. Güneri Z. Aigner O. Berkesi M. Kata 《Journal of Thermal Analysis and Calorimetry》2004,76(2):471-479
γ-Cyclodextrin and dimethyl-β-cyclodextrin were used as solubilizing agents for a very poorly water-soluble drug, an imidazole
derivative antifungal agent, clotrimazole; with the aim of improving the physicochemical properties of the drug. Solid products
were prepared by physical mixing, kneading, precipitation and spray-drying methods in 1:1 and 1:2 drug:cyclodextrin molar
ratios. Drug interactions were studied by thermoanalytical methods such as DSC, DTA, TG and DTG, X-ray diffractometry and
Fourier transformation-infrared spectroscopy. The results demonstrated the formation of inclusion complexes in some products.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
945.
0IntroductionAlthoughtheself-assemblyofchiralsupramolec-ularentitiesiscommoninvivo,itremainsdifficulttorationalizedesignandpreparationofchiralartificialself-assemblingsystems犤1犦.Inrecentyears,chiralmet-al-organicsolidshaveattractedmuchattentionandhavebeenofintensecurrentinterestsduetothepo-tentialapplicationsinawidevarietyoffields犤2~4犦.Thechoiceofchiralaminoacidaseffectivemeanstoobtainhomochiralstructureshaveemergedmanyyears.Morerecently,Chinetal.reportedarationallydesignedaminoacidmetal… 相似文献
946.
947.
A complete potential harmonic scheme is presented, including the linked coupled hyperradial ordinary differential equations and the secular equation of eigenenergy. It has been used to directly solve the Schrödinger equations of helium-like three-body systems (nuclear chargeZ = 1–9). and very accurate ground state eigenenergies as well as low-lying singlet excited state ones have been obtained. 相似文献
948.
Ysaías J. Alvarado Néstor Cubillán María G. Leal Paola H. Labarca Elba Michelena Yovani Marrero Ponce 《Journal of solution chemistry》2007,36(9):1139-1155
The values of electronic polarizability of quinoline and isoquinoline in extremely diluted liquid solution are reported in this paper. These were obtained by means of three new strategies based on UV-visible-NIR spectroscopy, the Kramers-Krönig relations, high precision densitometry and high exactitude refractometry, which are called here Arakawa’s Approximation (AA), Optical Substractive Approximation (OSA) and Optical Differential Approximation (ODA). In general the static electronic polarizability values of solute molecules obtained by ODA and OSA are in excellent agreement with the reported theoretical values at the Density Functional Theory (DFT) level and the Atom monopole-dipole model, but strong discrepancies were observed with the experimental values previously reported for quinoline and isoquinoline using refractometric and electro-optic methods. These differences were interpreted and analyzed in terms of dielectric intermolecular forces, resonant and pre-resonant effects. The AA method is shown to fail in predicting the polarizability of the quinoline and isoquinoline molecules. 相似文献
949.
The adsorptions of CS2 and H2O on |? alumina were studied in this paper. It was found that the weak chemical adsorption and strong chemical adsorption of CS2 occur on the surface of |? alumina. The FTIR results of CS2 and H2O coadsorption on |? alumina show that the CS2 hydrolysis on alumina follows Langmuir Hinshelwood mechanism, and that the adsorbed CS2 reacts with the H2O on Lewis basic centers of alumina. COS can be considered to be the surface reaction intermediate during CS 2 hydrolysis in the temperature range from 45oC to 140 oC. 相似文献
950.
Synthesis and non-isothermal kinetic study of the thermal decomposition of gadolinium(III) complexes
W. S. Lopes C. R. da S. Morais A. G. de Souza V. D. Leite 《Journal of Thermal Analysis and Calorimetry》2005,79(2):343-347
Summary Pyrrolidinedithiocarbamate (Pyr), piperidinedithiocarbamate (Pip), morpholinedithiocarbamate (Mor) and diethanolaminedithiocarbamate (DEDC) ammonium salts; pyrrolidinedithiocarbamic acid-pyrrolidineammonium salt (HPyrPyr), piperidinedithiocarbamic acid-piperidineammonium salt (HPipPip), morpholinedithiocarbamic acid-morpholineammonium salt (HMorMor), hexamethylenedithiocarbamic acid-hexamethyleneammonium salt (HHexHex), diethanolaminedithiocarbamic acid-diethanolamineammonium salt (HDEADEDC) were synthesized, characterized by IR and elemental analysis and their thermal behaviours were investigated using thermogravimetry (TG) and differential scanning calorimetry (DSC). 相似文献