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51.
Barbara Nelli Ricardo Sa Earp Walcy Santos Eric Toubiana 《Annals of Global Analysis and Geometry》2008,33(4):307-321
We prove that a H-surface M in ${\mathbb{H}}^2 \times {\mathbb{R}} ,\vert H\vert \leq 1/2$ , inherits the symmetries of its boundary $\partial M,$ when $\partial M$ is either a horizontal curve with curvature greater than one or two parallel horizontal curves with curvature greater than one, whose distance is greater or equal to π. Furthermore we prove that the asymptotic boundary of a surface with mean curvature bounded away from zero consists of parts of straight lines, provided it is sufficiently regular. 相似文献
52.
E. V. Spinacé Ricardo R. Dias Michele Brandalise Marcelo Linardi Almir Oliveira Neto 《Ionics》2010,16(1):91-95
PtRh/C (90:10), PtRh/C (50:50), PtSn/C (50:50), and PtSnRh/C (50:40:10) electrocatalysts were prepared by an alcohol-reduction
process using ethylene glycol as solvent and reduction agent and Vulcan Carbon XC72 as supports. The electrocatalysts were
characterized by energy-dispersive X-ray analysis, X-ray diffraction, and transmission electron microscopy. The electro-oxidation
of ethanol was studied by cyclic voltammetry chronoamperometry at room temperature and on a single cell of a direct ethanol
fuel cell at 100 °C. Cyclic voltammetry and chronoamperometry experiments showed that PtSnRh/C and PtSn/C electrocatalysts
have similar performance for ethanol oxidation at room temperature, while the activity of PtRh/C electrocatalysts was very
low. At 100 °C on a single cell, PtSnRh/C showed superior performance compared to PtSn/C and PtRh/C electrocatalysts. 相似文献
53.
The relationships between the market risk premium, its conditional variance and the risk-free rate in the Spanish stock market
are studied in this paper. Using daily data, the above mentioned relations are analyzed by quasi maximum likelihood for an
EGARCH-M(1,1) model with normal innovations and by nonparametric maximum likelihood for a semiparametric EGARCH-M(1,1) model
with arbitrarily distributed innovations. It is worth mentioning that the conclusions differ from one model to the other. 相似文献
54.
A general depth measure, based on the use of one-dimensional linear continuous projections, is proposed. The applicability of this idea in different statistical setups (including inference in functional data analysis, image analysis and classification) is discussed. A special emphasis is made on the possible usefulness of this method in some statistical problems where the data are elements of a Banach space.The asymptotic properties of the empirical approximation of the proposed depth measure are investigated. In particular, its asymptotic distribution is obtained through U-statistics techniques. The practical aspects of these ideas are discussed through a small simulation study and a real-data example. 相似文献
55.
Pacheco WF Miguel EM Ramos GV Cardoso CE Farias PA Aucélio RQ 《Analytica chimica acta》2008,625(1):22-27
In this work, a new approach is presented to allow interference-free determination of Cu (II) by stripping voltammetry using the bismuth-film electrode. The addition of hydrogen peroxide to the electroanalytical cell has promoted complete resolution between re-dissolution peaks of Bi (III) and Cu (II). The absence of interference could be evaluated by the correlation coefficient (r > 0.99) between Cu (II) concentration and its shifted current peak (at +212 mV) while achieving a slightly fluctuation of the bismuth current peak at −180 mV. Studies were performed aiming towards the optimum conditions for trace determination of Cu (II) using hydrogen peroxide. The methodology was applied to a real sample (sugarcane spirits) and the results were compared to those from graphite furnace atomic absorption spectrometry. The analytical parameters of merit and the results of the analysis indicated that the analytical methodology could be readily used for trace determination of Cu (II). 相似文献
56.
Picciochi R Canongia Lopes JN Diogo HP Minas da Piedade ME 《The journal of physical chemistry. A》2008,112(41):10429-10434
The standard molar enthalpy of sublimation of monoclinic cyclopentadienyltricarbonylmanganese, Mn(eta (5)-C 5H 5)(CO) 3, at 298.15 K, was determined as Delta sub H m (o)[Mn(eta (5)-C 5H 5)(CO) 3] = 75.97 +/- 0.37 kJ x mol (-1) from Knudsen effusion and Calvet-drop microcalorimetry measurements, thus considerably improving the very large inaccuracy (>10 kJ x mol (-1)) of the published data. The obtained value was used to assess the extension of the OPLS-based all-atom force field we previously developed for iron metallocenes to manganese organometallic compounds. The modified force field was able to reproduce the volumetric properties (density and unit-cell volume) of crystalline Mn(eta (5)-C 5H 5)(CO) 3 with a deviation of 0.6% and the experimentally determined enthalpy of sublimation with an accuracy of 1 kJ x mol (-1). The interaction (epsilon) and atomic-diameter (sigma) parameters of the Lennard-Jones (12-6) potential function used to calculate dispersion contributions within the framework of the force field were found to be transferable from iron to manganese. 相似文献
57.
58.
The presence of water molecules plays an important role in the accuracy of ligand-protein docking predictions. Comprehensive docking simulations have been performed on a large set of ligand-protein complexes whose crystal structures contain water molecules in their binding sites. Only those water molecules found in the immediate vicinity of both the ligand and the protein were considered. We have investigated whether prior optimization of the orientation of water molecules in either the presence or absence of the bound ligand has any effect on the accuracy of docking predictions. We have observed a statistically significant overall increase in accuracy when water molecules are included during docking simulations and have found this to be independent of the method of optimization of the orientation of water molecules. These results confirm the importance of including water molecules whenever possible in a ligand-protein docking simulation. Our findings also reveal that prior optimization of the orientation of water molecules, in the absence of any bound ligand, does not have a detrimental effect on the improved accuracy of ligand-protein docking. This is important, given the use of docking simulations to predict the binding modes of new ligands or drug molecules. 相似文献
59.
Ricardo E. Rivas Ignacio López-GarcíaManuel Hernández-Córdoba 《Spectrochimica Acta Part B: Atomic Spectroscopy》2009
A new procedure for the determination of inorganic arsenic (III,V) and antimony (III,V) in water samples by dispersive liquid–liquid micro extraction separation and electrothermal atomic absorption spectrometry (ETAAS) is presented. At pH 1, As(III) and Sb(III) are complexed with ammonium pyrrolidine dithiocarbamate and extracted into the fine droplets formed when mixing carbon tetrachloride (extraction solvent), methanol (disperser solvent) and the sample solution. After extraction, the phases are separated by centrifugation, and As(III) and Sb(III) are determined in the organic phase. As(V) and Sb(V) remain in the aqueous layer. Total inorganic As and Sb are determined after the reduction of the pentavalent forms with sodium thiosulphate. As(V) and Sb(V) are calculated by difference. The detection limits are 0.01 and 0.05 µg L− 1 for As(III) and Sb(III), respectively, with an enrichment factor of 115. The relative standard deviation is in the 2.9–4.5% range. The procedure has been applied to the speciation of inorganic As and Sb in bottled, tap and sea water samples with satisfactory results. 相似文献
60.
Francisco Núñez‐Zarur Eduardo Arguello Ricardo Vivas‐Reyes 《International journal of quantum chemistry》2010,110(9):1622-1636
The electronic structure and reactivity trends of a set of tris‐(n‐methyl‐8‐quinolinolato) metal (III) (n = 0, 3, 4, 5; metal = Al+3, Ga+3) used as electron‐transport layer in organic light‐emitting diodes were studied and compared. All geometries were optimized at B3LYP/6‐31G(d,p) level of theory. The geometries of the ground state (S0) of unsubstituted molecules AlQ3 and GaQ3 were found to be slightly affected by the methyl group, which is in agreement with previous works. Methyl‐derivatives conserve largely the electronic structures of AlQ3 and GaQ3. The energies of the frontier orbitals highest occupied and lowest unoccupied molecular orbital are raised by the electron‐releasing effect of methyl group. Molecular orbital contribution analysis reveals that the orbital population is essentially the same for both MQ3 and their derivatives. Analyses of the ionization potential and electron affinity showed that MQ3 tend to be better hole‐blockers than methylated analogues and 5Me‐MQ3 have higher hole‐injection capability than the other methyl‐substituted derivatives. The global reactivity analysis showed that the electrophilicity index can be an indicator of electron‐injection capability in these complexes. Local reactivity analysis showed that atomic sites that are prone to nucleophilic/electrophilic attack are atoms C‐4 in L3/C‐5 in L1. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010 相似文献