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131.
Rodrigues JA Oliveira RP Ratusznei SM Zaiat M Foresti E 《Applied biochemistry and biotechnology》2011,163(1):127-142
A study was performed regarding the effect of the relation between fill time, volume treated per cycle, and influent concentration
at different applied organic loadings on the stability and efficiency of an anaerobic sequencing batch reactor containing
immobilized biomass on polyurethane foam with recirculation of the liquid phase (AnSBBR) applied to the treatment of wastewater
from a personal care industry. Total cycle length of the reactor was 8 h (480 min). Fill times were 10 min in the batch operation,
4 h in the fed-batch operation, and a 10-min batch followed by a 4-h fed batch in the mixed operation. Settling time was not
necessary since the biomass was immobilized and decant time was 10 min. Volume of liquid medium in the reactor was 2.5 L,
whereas volume treated per cycle ranged from 0.88 to 2.5 L in accordance with fill time. Influent concentration varied from
300 to 1,425 mg COD/L, resulting in an applied volumetric organic load of 0.9 and 1.5 g COD/L.d. Recirculation flow rate was
20 L/h, and the reactor was maintained at 30 °C. Values of organic matter removal efficiency of filtered effluent samples
were below 71% in the batch operations and above 74% in the operations of fed batch followed by batch. Feeding wastewater
during part of the operational cycle was beneficial to the system, as it resulted in indirect control over the conversion
of substrate into intermediates that would negatively interfere with the biochemical reactions regarding the degradation of
organic matter. As a result, the average substrate consumption increased, leading to higher organic removal efficiencies in
the fed-batch operations. 相似文献
132.
A combination of the polarizable continuum model (PCM) and the hybrid quantum mechanics/molecular mechanics (QM/MM) methodology, PCM-MM/QM, is used to include the solute electronic polarization and then study the solvent effects on the low-lying n→π(?) excitation energy and the (15)N nuclear magnetic shielding of pyrazine and pyridazine in aqueous environment. The results obtained with PCM-MM/QM are compared with two other procedures, i.e., the conventional PCM and the iterative and sequential QM/MM (I-QM/MM). The QM calculations are made using density functional theory in the three procedures. For the excitation energies, the time-dependent B3LYP/6-311+G(d) model is used. For the magnetic shielding, the B3LYP/aug-pcS2(N)/pcS2(C,O,H) is used with the gauge-including atomic orbitals. In both cases, i.e., PCM-MM/QM and I-QM/MM, that use a discrete model of the solvent, the solute is surrounded by a first shell of explicit water molecules embedded by an electrostatic field of point charges for the outer shells. The best results are obtained including 28 explicit water molecules for the spectral calculations and 9 explicit water molecules for the magnetic shielding. Using the PCM-MM/QM methodology the results for the n→π(?) excitation energies of pyridazine and pyrazine are 32,070 ± 80 cm(-1) and 32,675 ± 60 cm(-1), respectively, in good agreement with the corresponding I-MM/QM results of 32,540 ± 80 cm(-1) and 32,710 ± 60 cm(-1) and the experimental results of 33,450-33,580 cm(-1) and 32,700-33,300 cm(-1). For the (15)N magnetic shielding, the corresponding numbers for the gas-water shifts obtained with PCM-MM/QM are 47.4 ± 1.3 ppm for pyridazine and 19.7 ± 1.1 ppm for pyrazine, compared with the I-QM/MM values of 53.4?±?1.3 ppm and 19.5 ± 1.2 ppm and the experimental results of 42-54 ppm and 17-22 ppm, respectively. The agreement between the two procedures is found to be very good and both are in agreement with the experimental values. PCM-MM/QM approach gives a good solute polarization and could be considered in obtaining reliable results within the expected QM/MM accuracy. With this electronic polarization, the solvent effects on the electronic absorption spectra and the (15)N magnetic shielding of the diazines in water are well described by using only an electrostatic approximation. Finally, it is remarked that the experimental and theoretical results suggest that the (15)N nuclear magnetic shielding of any diazine has a clear dependence with the solvent polarity but not directly with the solute-solvent hydrogen bonds. 相似文献
133.
Barth AB de Oliveira GB Malesuik MD Paim CS Volpato NM 《Journal of chromatographic science》2011,49(7):512-518
A stability-indicating liquid chromatography method for the determination of the antifungal agent butenafine hydrochloride (BTF) in a cream was developed and validated using the Plackett-Burman experimental design for robustness evaluation. Also, the drug photodegradation kinetics was determined. The analytical column was operated with acetonitrile, methanol and a solution of triethylamine 0.3% adjusted to pH 4.0 (6:3:1) at a flow rate of 1 mL/min and detection at 283 nm. BTF extraction from the cream was done with n-butyl alcohol and methanol in ultrasonic bath. The performed degradation conditions were: acid and basic media with HCl 1M and NaOH 1M, respectively, oxidation with H(2)O(2) 10%, and the exposure to UV-C light. No interference in the BTF elution was verified. Linearity was assessed (r(2) = 0.9999) and ANOVA showed non-significative linearity deviation (p > 0.05). Adequate results were obtained for repeatability, intra-day precision, and accuracy. Critical factors were selected to examine the method robustness with the two-level Plackett-Burman experimental design and no significant factors were detected (p > 0.05). The BTF photodegradation kinetics was determined for the standard and for the cream, both in methanolic solution, under UV light at 254 nm. The degradation process can be described by first-order kinetics in both cases. 相似文献
134.
Marcelo Kobelnik Douglas Lopes Cassimiro Diógenesdos Dos Santos Clóvis Augusto Ribeiro Marisa Spirandeli Crespi 《中国化学》2011,29(11):2271-2277
Solid state compounds of general formula Sr(Diclof)2·5.7H2O and Ba(Diclof)2·4.8H2O were obtained. Thermogravimetry (TG), differential scanning calorimetry (DSC), X‐ray diffraction powder patterns and microscopy analysis were used to characterize these compounds. Details concerning the dehydration and thermal decomposition as well as data of kinetic parameters have been described here. The kinetic behaviors of these stages were evaluated from several heating rates with samples masses of 2 and 5 mg in open crucibles under a nitrogen atmosphere. The results of the present study improve the knowledge on these compounds including their dehydration and thermal stability. The obtained data depend on the mass of the sample which results in two kinetic behavior patterns. 相似文献
135.
In this paper we look for multiple weak solutions u:Ωλ→C for the complex equation in Ωλ=λΩ. The set Ω⊂RN is a smooth bounded domain, λ>0 is a parameter, A is a regular magnetic field and f is a superlinear function with subcritical growth. Our main result relates, for large values of λ, the number of solutions with the topology of the set Ω. In the proof we apply minimax methods and Ljusternik-Schnirelmann theory. 相似文献
136.
Marcelo Montenegro Olivâine S. de Queiroz Eduardo V. Teixeira 《Mathematische Annalen》2011,351(1):215-250
We establish existence and sharp regularity results for solutions to singular elliptic equations of the order u
−β
, 0 < β < 1, with gradient dependence and involving a forcing term λ f(x, u). Our approach is based on a singularly perturbed technique. We show that if the forcing parameter λ > 0 is large enough,
our solution is positive. For λ small solutions vanish on a nontrivial set and therefore they exhibit free boundaries. We
also establish regularity results for the free boundary and study the asymptotic behavior of the problem as
b\searrow 0{\beta\searrow 0} and
b\nearrow 1{\beta\nearrow 1}. In the former, we show that our solutions u
β
converge to a C
1,1 function which is a solution to an obstacle type problem. When
b\nearrow 1{\beta\nearrow 1} we recover the Alt-Caffarelli theory. 相似文献
137.
Spatial Lanchester models 总被引:1,自引:0,他引:1
Lanchester equations have been widely used to model combat for many years, nevertheless, one of their most important limitations has been their failure to model the spatial dimension of the problems. Despite the fact that some efforts have been made in order to overcome this drawback, mainly through the use of Reaction–Diffusion equations, there is not yet a consistently clear theoretical framework linking Lanchester equations with these physical systems, apart from similarity. In this paper, a spatial modeling of Lanchester equations is conceptualized on the basis of explicit movement dynamics and balance of forces, ensuring stability and theoretical consistency with the original model. This formulation allows a better understanding and interpretation of the problem, thus improving the current treatment, modeling and comprehension of warfare applications. Finally, as a numerical illustration, a new spatial model of responsive movement is developed, confirming that location influences the results of modeling attrition conflict between two opposite forces. 相似文献
138.
Cuggino JC Calderón M Alvarez CI Strumia MC Silva KN Penott-Chang EK Müller AJ 《Journal of colloid and interface science》2011,357(1):147-156
Two new water soluble dendronized polymers (PLn) from acrylate Behera amine monomer of different molecular weights were successfully synthesized. The polymers were characterized by FTIR, NMR, GPC and DLS. Both GPC and DLS results indicated that these PLn have a remarkable tendency to form aggregates in solution that lead to apparent molecular weights that are much higher than their theoretical values, as well as large diameters in solution. However, the addition of any PLn to water did not cause any increase in viscosity up to concentrations of 1000 ppm. The possible interactions of PLn with the cationic surfactant CTAT were explored by solution rheometry. A synergistic viscosity enhancement was found by adding small amounts of dendronized PLn polymers to a CTAT solution composed of entangled worm-like micelles. The highest association tendency with CTAT was found for PL1 at the maximum polymer concentration before phase separation (i.e., 100 ppm). The solution viscosity at low-shear rates could be increased by an order of magnitude upon addition of 100 ppm of PL1 to a 20mM CTAT solution. For this mixture, the fluid obtained was highly structured and exhibited only shear thinning behavior from the smallest shear rates employed. These PL1/CTAT mixtures exhibited an improved elastic character (as determined by dynamic rheometry) that translated in a much longer value of the cross-over relaxation time and a pronounced thixotropic behavior which are indicative of a strong intermolecular interaction. In the case of the polymer with a higher theoretical molecular weight, PL2, its association with CTAT leads to an extraordinary doubling of solution viscosity with just 0.25 ppm polymer addition to a 20mM CTAT solution. However, such synergistic viscosity enhancement saturated at rather low concentrations (25 ppm) indicating an apparent lower solubility as compared to PL1, a fact that may be related to its higher molecular weight. 相似文献
139.
In this work we studied the effect of NaCl on the thermodynamic and dynamic properties of supercooled water, for salt concentrations between 0.19 and 1.33 mol?kg(-1), using molecular dynamic simulations for TIP5P∕E water model and ion parameters specially designed to be used in combination with this potential. We studied the isobaric heat capacity (C(p)) temperature dependence and observed a maximum in C(p), occurring at T(m), that moves to lower temperature values with increasing salt concentration. Many characteristic changes were observed at scaled temperature T∕T(m) ~ 0.96, namely a minimum in the density of the system, a reduction of the slope of the number of hydrogen bonds vs. temperature, and a crossover from Vogel-Tamman-Fulcher to Arrhenius dynamics. Finally, at low temperatures we observed that water dynamics become heterogeneous with an apparently common relationship between the fraction of immobile molecules and T/T(m) for all studied systems. 相似文献
140.
Corzana F Busto JH Marcelo F de Luis MG Asensio JL Martín-Santamaría S Sáenz Y Torres C Jiménez-Barbero J Avenoza A Peregrina JM 《Chemical communications (Cambridge, England)》2011,47(18):5319-5321
A novel Tn antigen mimic, in which the natural underlying amino acid has been replaced by the non-natural α-methylserine analogue, is reported. This derivative exhibits a similar affinity for a natural lectin as for the natural Tn and retains the bioactive conformation observed in the Tn-containing glycopeptides with anti-MUC1 antibodies. 相似文献