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11.
Synthesis and X-ray structural study of octa-coordinated hexafluoroacetylacetone hafnium(IV) complex
K. V. Zherikova N. B. Morozova I. A. Baidina V. I. Alekseev I. K. Igumenov 《Journal of Structural Chemistry》2006,47(1):82-86
Hexafluoroacetylacetonate hafnium(IV) complex has been synthesized and studied by X-ray structural analysis. Crystal data for C30H8F36Hf2O14 are: a = 12.957(3) Å, b = 16.687(3) Å, c = 12.398(3) Å, β = 108.97°, space group P21/c, Z = 2, d calc = 2.137 g/cm3, R = 0.047. The molecular structure is built from discrete binuclear molecules of Hf2(OH)2(hfac)6 composition; the Hf...Hf distance in dimer is 3.533 Å. The structural units are connected by van der Waals interactions in the crystal. 相似文献
12.
N. B. Morozova A. E. Turgambaeva I. A. Baidina V. V. Krysyuk I. K. Igumenov 《Journal of Structural Chemistry》2005,46(6):1047-1051
The structure of titanyl dipivalylmethanate TiO(dpm)2 has been studied by X-ray diffraction analysis. The compound has a molecular structure formed by isolated centrosymmetrical dimers [TiO(dpm)2]2; the unit cell contains two structurally related, crystallographically unique binuclear molecules. The Ti...Ti distance in the dimer is 2.73 Å. Crystal data for Ti2C36H76O10: a = 32.477(6) Å, b = 14.409(3) Å, c = 25.630(5) Å; β = 107.82(3)°, space group C2/c, Z = 8, d calc = 1.002 g/cm3. 相似文献
13.
A new simple and efficient methodology for reductive sulfur extrusion from 2,1,3-benzothiadiazole compounds has been developed using NaBH4 in the presence of catalytic amounts of CoCl2·6H2O (1 mol %). This method is an efficient alternative for the generation of various 1,4-disubstituted-2,3-diaminobenzene derivatives from 4,7-disubstituted-2,1,3-benzothiadiazoles. The diamines can be easily converted into 4,7-disubstituted-quinoxaline compounds by simple reaction with glyoxal-sodium bisulfite. 相似文献
14.
A stochastic method of optimization, which combines simulated annealing with simplex, is implemented to fit the parameters of a simple model potential. The main characteristic of the method is that it explores the whole space of the parameters of the model potential, and therefore it is very efficient in locating the global minimum of the cost function, in addition to being independent of the initial guess of the parameters. The method is employed to fit the complex intermolecular potential energy surface of the dimer of water, using as a reference the spectroscopic quality anisotropic site-site potential of Feller et al. The simple model potential chosen for its reparameterization is the MCY model potential of Clementi et al. The quality of the fit is assessed by comparing the geometry of the minimum, the harmonic frequencies, and the second virial coefficients of the parameterized potential with the reference one. Finally, to prove more rigorously the robustness of this method, it is compared with standard nonstochastic methods of optimization. 相似文献
15.
Wolfdieter A. Schenk 《Angewandte Chemie (International ed. in English)》1987,26(2):98-109
Donor molecules undergo dramatic changes in their chemical properties on coordination to a transition-metal atom. Highly reactive species can be trapped and studied as ligands. Conversely, stable compounds can be activated to undergo novel reactions. Sulfur dioxide complexes have generally been studied from a structural viewpoint, their reactivity having been somewhat neglected. The unstable sulfur oxides SO, S2O, and S2O2 are still often regarded as laboratory curiosities. Their successful stabilization in transition-metal complexes has now made them accessible to detailed study, in the course of which many relationships to the chemistry of SO2 complexes have become apparent. 相似文献
16.
Sibrina N. Collins Constance M. Brett Bruce E. Bursten 《Journal of Cluster Science》2004,15(4):469-487
The photochemical CO-loss products of the diruthenium complexes [CpRu(CO) 2]2 (5; Cp = 5-C5H5), [Cp*Ru(CO)2]2 (5*; Cp* = 5-C5(CH3)5) and CpCp*[Ru(CO)2]2 (5) have been studied experimentally in low-temperature (96 K) matrices in 3-methylpentane by using IR spectroscopy. It is proposed that all three complexes undergo single-CO-loss chemistry but that the products have different structures. The single-CO-loss product from 5 is proposed to have one bridging and two terminal carbonyl ligands, whereas 5* and 5 generate triply bridged CO-loss products similar to that observed from [CpFe(CO)2]2 and [Cp*Fe(CO)2]2. Double-CO-loss from 5* and 5*
9 is also apparently observed. Relativistic DFT calculations have been carried out on various isomers of the starting materials and on potential CO-loss products from 5. The calculations suggest that the triply bridged product Cp2Ru2(-CO)3 (6) might have a singlet ground state in contrast to the corresponding diiron complex Cp2Fe2(-CO)3 (3), which has a triplet ground state. 相似文献
17.
TMSOTf-catalyzed intramolecular condensation for catechin and epicatechin units are described. A potential electrophile and a nucleophile were connected with diester linkers and TMSOTf-catalyzed condensation was examined. In comparison with intermolecular catechin and catechin condensation, the intramolecular condensation required high reaction temperature and reversed 3,4-cis product was obtained. The condensed product was transformed into the natural 3,4-cis (+)-catechin-(4β→8)-(+)-catechin dimer. 相似文献
18.
IntroductionTheadvantageofmacrocyclicoligomersasprecursorsforthepreparationofhighperformancepolymersviaring openingpolymerization (ROP)hassparkedmuchinterestintheareaofadvancedthermoplasticcomposites.1 3Andaseriesofcyclicoligomerssuchascarbonates,4 arylesters ,5,6 ethers,7amides8andsulfides9,10 hasbeensuccessfullysynthesized .Recently ,Nishikuboetal.11reportedakindofnovelmacro cyclicoligomerscontainingthioestergroupspreparedbycon densationofbis(4 mercaptophenyl)sulfidewitharomaticaciddichlo… 相似文献
19.
‘Head-to-head’ oligo-N-methylpyrrole peptide dimers linked by a methano[1,5]diazocin scaffold are presented in racemic as well as chiral fashion. Their DNA binding activities were assayed on calf thymus DNA, poly(dA-dT)2, and poly(dC-dG)2 by NMR and ECD spectroscopies, and fluorescence probe displacement assay. The presented dimers prefer AT sequences, but show higher affinity to poly(dC-dG)2 than distamycin A. The (4R,9R) configuration of methanodiazocin bridge was found to be better suited for interaction with ct-DNA and poly(dA-dT)2 than (4S,9S) configuration. 相似文献
20.