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31.
In this paper we study the economic lot sizing problem with cost discounts. In the economic lot sizing problem a facility faces known demands over a discrete finite horizon. At each period, the ordering cost function and the holding cost function are given and they can be different from period to period. There are no constraints on the quantity ordered in each period and backlogging is not allowed. The objective is to decide when and how much to order so as to minimize the total ordering and holding costs over the finite horizon without any shortages. We study two different cost discount functions. The modified all-unit discount cost function alternates increasing and flat sections, starting with a flat section that indicates a minimum charge for small quantities. While in general the economic lot sizing problem with modified all-unit discount cost function is known to be NP-hard, we assume that the cost functions do not vary from period to period and identify a polynomial case. Then we study the incremental discount cost function which is an increasing piecewise linear function with no flat sections. The efficiency of the solution algorithms follows from properties of the optimal solution. We computationally test the polynomial algorithms against the use of CPLEX. 相似文献
32.
The problem of solving large M-matrix linear systems with sparse coefficient matrix in block Hessenberg form is here addressed. In previous work of the authors a divide-and-conquer strategy was proposed and a backward error analysis of the resulting algorithm was presented showing its effectiveness for the solution of computational problems of queueing theory and Markov chains. In particular, it was shown that for block Hessenberg M-matrices the algorithm is weakly backward stable in the sense that the computed solution is the exact solution of a nearby linear system, where the norm of the perturbation is proportional to the condition number of the coefficient matrix. In this note a better error estimate is given by showing that for block Hessenberg M-matrices the algorithm is even backward stable. 相似文献
33.
34.
Utesch T Daminelli G Mroginski MA 《Langmuir : the ACS journal of surfaces and colloids》2011,27(21):13144-13153
Bone morphogenetic protein-2 (BMP-2) plays a crucial role in osteoblast differentiation and proliferation. Its effective therapeutic use for ectopic bone and cartilage regeneration depends, among other factors, on the interaction with the carrier at the implant site. In this study, we used classical molecular dynamics (MD) and a hybrid approach of steered molecular dynamics (SMD) combined with MD simulations to investigate the initial stages of the adsorption of BMP-2 when approaching two implant surfaces, hydrophobic graphite and hydrophilic titanium dioxide rutile. Surface adsorption was evaluated for six different orientations of the protein, two end-on and four side-on, in explicit water environment. On graphite, we observed a weak but stable adsorption. Depending on the initial orientation, hydrophobic patches as well as flexible loops of the protein were involved in the interaction with graphite. On the contrary, BMP-2 adsorbed only loosely to hydrophilic titanium dioxide. Despite a favorable interaction energy between protein and the TiO(2) surface, the rapid formation of a two-layer water structure prevented the direct interaction between protein and titanium dioxide. The first water adlayer had a strong repulsive effect on the protein, while the second attracted the protein toward the surface. For both surfaces, hydrophobic graphite and hydrophilic titanium dioxide, denaturation of BMP-2 induced by adsorption was not observed on the nanosecond time scale. 相似文献
35.
36.
Bonicelli MG Giansanti L Ierino M Mancini G 《Journal of colloid and interface science》2011,361(1):1-8
The colloidal dispersion stability of nano-sized graphene sheets in supercritical fluid (SCF) media is very important for developing SCF-based exfoliation and dispersion technologies for stabilization and solubilization of graphenes. We carried out molecular dynamics simulations to elucidate the stability mechanism of graphene in supercritical CO(2) (scCO(2)). The potential of mean force (PMF) between two graphene nanosheets in scCO(2) was simulated, and the effect of scCO(2) density and temperature on the PMF behavior has been investigated. The simulation results demonstrate that there exists a free energy barrier between graphenes in the scCO(2) fluid, possibly obstructing the aggregation of graphenes. The single-layer confined CO(2) molecules between the graphene sheets can induce a dominating repulsion interaction between graphene sheets. At higher scCO(2) fluid density, there are more confined CO(2) molecules within the interplate regions, resulting in a stronger repulsive free energy barrier. The effect of temperature on the PMF is relatively minor. The scCO(2) solvent structure shows layered confined arrangement in the interfacial region near the graphene nanosheets, which is correlated well with the PMF profile curve. 相似文献
37.
Micieli D Giuffrida MC Pignatello R Castelli F Sarpietro MG 《Journal of colloid and interface science》2011,360(2):359-369
Anti-inflammatory drugs represent a potential new strategy for the treatment of Alzheimer's disease (AD). The ability to cross the blood-brain barrier and to reach brain tissues is a critical point for these drugs and is strictly related to their lipophilicity. Naproxen (NAP) is a non-steroidal anti-inflammatory drug (NSAIDs) under active investigation for AD. To improve its lipophilic character, NAP was conjugated through a diethylamine spacer (EDA) to lipoamino acids (LAA), α-amino acids containing a long alkyl side chain, to obtain the NAP-EDA-LAA10 and NAP-EDA-LAA14 prodrugs. The interaction of NAP and prodrugs with dimyristoylphosphatidylcholine phospholipids, forming either multilamellar vesicles or monolayers (at the air/water interface) and used as biomembrane models, was studied by differential scanning calorimetry and Langmuir-Blodgett techniques. Experimental data showed that NAP conjugation with LAA residues was able to enhance the drug interaction with such biomembrane models. 相似文献
38.
Short R Carta M Bezzu CG Fritsch D Kariuki BM McKeown NB 《Chemical communications (Cambridge, England)》2011,47(24):6822-6824
Microporous polymers derived from the 1,2- and 1,4-regioisomers of di(3',4'-dihydroxyphenyl)tetraphenylbenzene have very different properties with the former being composed predominantly of cyclic oligomers whereas the latter is of high molar mass suitable for the formation of robust solvent-cast films of high gas permeability. 相似文献
39.
Palombo F Paolantoni M Sassi P Morresi A Giorgini MG 《Physical chemistry chemical physics : PCCP》2011,13(36):16197-16207
Slow to ultrafast dynamics of liquid acetone at variable temperature was investigated by depolarized Rayleigh and low-frequency Raman scattering spectroscopy, in the region 0-200 cm(-1). A detailed analysis was performed on the spectra and corresponding time responses, and a consistent view of the molecular dynamics of this dipolar solvent was obtained. The effects of temperature on the spectra were interpreted, and distinct dynamical processes identified. At very low frequencies, or long time scales, acetone dynamics is characterized by a slow diffusive reorientation obeying the Stokes-Einstein-Debye hydrodynamic theory only in the limit of subslip boundary conditions. An alternative model based on the microviscosity concept proved to be able to reproduce this correlation time and its temperature dependence. A comparative analysis of collective and single-molecule reorientational times, these latter estimated from intramolecular Raman spectra, led to an orientational correlation parameter g(2) of unity, which denotes a statistical disorder of molecular polarizability tensors. A fast local restructuring process is putatively responsible for an additional contribution at subpicosecond time scales often referred to as intermediate response in other molecular liquids. The high frequency portion of the dynamical susceptibility showed the signature of librational intermolecular motions, giving rise to an ultrafast decay of the time correlation function of polarizability anisotropy. The overall approach, which provided valuable information on dynamics, structure and molecular interactions of neat acetone, will be applied to acetone electrolytic solutions. 相似文献
40.
Caruso R Gambino GL Scordino M Sabatino L Traulo P Gagliano G 《Natural product communications》2011,6(12):1939-1943
The influence of the wine distillation process on methanol content has been determined by quantitative analysis using gas chromatographic flame ionization (GC-FID) detection. A comparative study between direct injection of diluted wine and injection of distilled wine was performed. The distillation process does not affect methanol quantification in wines in proportions higher than 10%. While quantification performed on distilled samples gives more reliable results, a screening method for wine injection after a 1:5 water dilution could be employed. The proposed technique was found to be a compromise between the time consuming distillation process and direct wine injection. In the studied calibration range, the stability of the volatile compounds in the reference solution is concentration-dependent. The stability is higher in the less concentrated reference solution. To shorten the operation time, a stronger temperature ramp and carrier flow rate was employed. With these conditions, helium consumption and column thermal stress were increased. However, detection limits, calibration limits, and analytical method performances are not affected substantially by changing from normal to forced GC conditions. Statistical data evaluation were made using both ordinary (OLS) and bivariate least squares (BLS) calibration models. Further confirmation was obtained that limit of detection (LOD) values, calculated according to the 3sigma approach, are lower than the respective Hubaux-Vos (H-V) calculation method. H-V LOD depends upon background noise, calibration parameters and the number of reference standard solutions employed in producing the calibration curve. These remarks are confirmed by both calibration models used. 相似文献