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61.
Gabriel Navarro 《Transactions of the American Mathematical Society》2002,354(7):2759-2773
Suppose that is a finite -solvable group. We associate to every irreducible complex character of a canonical pair , where is a -subgroup of and , uniquely determined by up to -conjugacy. This pair behaves as a Green vertex and partitions into ``families" of characters. Using the pair , we give a canonical choice of a certain -radical subgroup of and a character associated to which was predicted by some conjecture of G. R. Robinson.
62.
Sastre G Vidal-Moya JA Blasco T Rius J Jordá JL Navarro MT Rey F Corma A 《Angewandte Chemie (International ed. in English)》2002,41(24):4722-4726
63.
The application of two extreme models for diffusion in two-component systems to electrochemically determine equilibrium constants is discussed. The application of cyclic voltammetric, diferential pulse and rotating-disc electrode voltammetric data to elucidate the stoichiometry and formation constant of complex species by applying a generalization of the molar-ratio method is described. Molar-ratio experiments permit the distinction between the limiting diffusive regimes. The values of the equilibrium stability constants for complexation of phenethylamine and phenethylammonium ions by a 26-membered dioxotetraester crown of 3,5-disubstituted 1H-pyrazole as free ligand 1[L] and as dipyrazolate anion 1'[L(2-)]2Na(+), respectively, were determined. 相似文献
64.
Fernández LE Altabef AB Navarro A Fernández Gómez M Varetti EL 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2000,56(6):1101-1110
Infrared and Raman spectra were obtained for liquid silyl trifluoromethanesulfonate, a silylating agent of limited stability. The molecular geometry was optimized by means of density functional theory and M?ller-Plesset second order perturbation theory methods, using different basis sets. The optimized structure presents a gauche conformation, similar to that adopted by methyl trifluoromethanesulfonate, which was determined experimentally a short time ago. The wavenumbers for the normal modes of vibration and the corresponding force constants were also calculated, facilitating the interpretation of the vibrational data. The harmonic force constants given by theory were scaled to reproduce adequately the experimental wavenumbers. 相似文献
65.
66.
Fustero S Navarro A Pina B Soler JG Bartolomé A Asensio A Simón A Bravo P Fronza G Volonterio A Zanda M 《Organic letters》2001,3(17):2621-2624
[reaction: see text]. Hydride reduction of C=N bonds stereocontrolled by intramolecular pi-stacking interactions of 1-naphthylsulfinyl and N-aryl groups, nonoxidative Pummerer rearrangement, and ring-closing metathesis are efficiently combined in a highly stereoselective entry to enantiomerically pure cyclic and acyclic fluorinated beta-amino alcohols and alpha-amino acid derivatives, respectively. 相似文献
67.
V. Bilovol A. M. Mudarra Navarro A. F. Cabrera C. E. Rodríguez Torres F. H. Sánchez 《Hyperfine Interactions》2007,176(1-3):45-50
This work deals with first-principles investigation of the electronic structure of the BF3??H2O complex which is important in catalysis of organic reactions and polymerization. The dissociation energy of the BF3??H2O complex and the nuclear quadrupole interaction parameters for the excited nuclear state 19F* (I = 5/2) of the fluorine nuclei have been studied. Our investigation shows that the complexation bond BO between the BF3 and H2O units is strongly influenced by the larger electronegativity of Oxygen as compared to Nitrogen in BF3??NH3. The quadrupole coupling constants of 19F* and the asymmetry parameter are however quite close to those for BF3??NH3. The likely reasons for these features of these two important catalytic systems are suggested. 相似文献
68.
B. Puértolas J. M. López M. V. Navarro T. García R. Murillo A. M. Mastral F. J. Varela-Gandía D. Lozano-Castelló A. Bueno-López D. Cazorla-Amorós 《Adsorption》2013,19(2-4):357-365
Simulated cold-start tests have been carried out to evaluate the performance of H-ZSM-5 and H-BETA zeolites as hydrocarbon traps under simulated gasoline car exhaust gases, paying special attention to the effect of water on their behaviour. It is concluded that the hydrothermal treatment of the zeolites in the acidic form contributes to the better performance of these materials as hydrocarbon traps since the stabilization of the zeolites takes place. Moreover, the decrease of the surface acidity of the zeolites results in an increase of the Si/Al ratio, which contributes to the decrease of the water affinity for adsorption sites. Thus, the competition with hydrocarbon molecules in the exhaust for the adsorption sites is reduced which increases their trap efficiency. The stabilized H-ZSM-5 is the zeolite that showed the best performance with a propene offset temperature of 240 °C, which should be high enough for the three-way catalyst to carry out its role as catalytic converter. 相似文献
69.
Eliézer Fernando de Oliveira Alexandre Camilo‐Jr Luiz Carlos da Silva‐Filho Francisco Carlos Lavarda 《Journal of Polymer Science.Polymer Physics》2013,51(10):842-846
The widespread use of poly(3‐hexylthiophene) (P3HT) in the active layers of organic solar cells indicates that it possesses chemical stability and solubility suitable for such an application. However, it would be desirable to have a material that can maintain these properties but with a smaller bandgap, which would lead to more efficient energy harvesting of the solar spectrum. Fifteen P3HT derivatives were studied using the Density Functional Theory. The conclusion is that it is possible to obtain compounds with significantly smaller bandgaps and with solubility and stability similar to that of P3HT, mostly through the binding of oxygen atoms or conjugated organic groups to the thiophenic ring. © 2013 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys., 2013 相似文献
70.
V. Navarro Aznar 《Inventiones Mathematicae》1987,90(1):11-76
Sans résumé 相似文献