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31.
Alireza Bananej Amir Hassanpour Hossein Razzaghi Mehdí Vaez zade Ali Mohammadi 《Optics & Laser Technology》2010,42(8):1187-1192
Monolayer ZrO2 and TiO2 films were prepared on BK7 glass by physical vapor deposition (PVD) and were subsequently annealed for 1 h at 300 °C. By using the transmission spectra of two samples and the envelope method, the refractive index dispersion and extinction coefficients have been calculated. Laser induced damage threshold (LIDT) measurement shows that despite slight differences between the extinction coefficients of the two samples, the LIDT parameter of the ZrO2 film is greater than that of the TiO2 film. This fact leads us to consider thermal conductivity as an important parameter for interpreting the LIDT difference. According to our theoretical analysis, as a consequence of increase in the number of thermal barriers along poorer film, its thermal conductivity, and hence LIDT, decreased, which is in agreement with our experimental results. The measured porosity of the two samples shows higher porosity for TiO2 single layer, which is in agreement with atomic force (AFM) images. The gradual and smooth damage morphology of ZrO2 observed in optical images implies higher thermal conductivity than TiO2. 相似文献
32.
The electrooxidation of Gabapentin was studied on nanotubes of nickel oxide-modified carbon paste electrode for the first time. Cyclic voltammetry was employed
to investigate the electrooxidation process. A simple, sensitive, and efficient amperometric method was developed for the
analysis of the drug, and the corresponding analytical parameters were reported. For Gabapentin, a detection limit of 0.3 μM
was obtained in a linear range of 2.4–50 μM. The proposed amperometric method was also applied to the analysis of commercial
capsules, and the results were in good agreement with the declared values. Also, the applicability of the method to the direct
assay of the drug in human serum and urine was described. 相似文献
33.
Mahdi Tohidian Mohadeseh Nouri Elham Jaafarnia Amir Hossein Haghighi 《Journal of Macromolecular Science: Physics》2015,54(1):17-31
The preparation and characterization of a new type of nanocomposite polyelectrolyte membrane, based on DuPont Nafion/imidazole-modified nanosilica (Im-Si), for direct methanol fuel cell applications is described. Related to the interactions between the protonated imidazole groups, grafted on the surface of nanosilica, and negatively charged sulfonic acid groups of Nafion, new electrostatic interactions can be formed in the interface of Nafion and Im-Si which result in both lower methanol permeability and also higher proton conductivity. Physical characteristics of these manufactured nanocomposite membranes were investigated by scanning electron microscopy, thermogravimetry analysis, differential scanning calorimetry, Fourier transform infrared spectroscopy, water uptake, methanol permeability, and ion-exchange capacity, as well as proton conductivity. The Nafion/Im-Si membranes showed higher proton conductivity, lower methanol permeability and, as a consequence, higher selectivity parameter in comparison to the neat Nafion or Nafion/silica membranes. The obtained results indicated that the Nafion/Im-Si membranes could be utilized as promising polyelectrolyte membranes for direct methanol fuel cell applications. 相似文献
34.
Boosting is one of the most important strategies in ensemble learning because of its ability to improve the stability and performance of weak learners. It is nonparametric, multivariate, fast and interpretable but is not robust against outliers. To enhance its prediction accuracy as well as immunize it against outliers, a modified version of a boosting algorithm (AdaBoost R2) was developed and called AdaBoost R3. In the sampling step, extremum samples were added to the boosting set. In the robustness step, a modified Huber loss function was applied to overcome the outlier problem. In the output step, a deterministic threshold was used to guarantee that bad predictions do not participate in the final output. The performance of the modified algorithm was investigated with two anticancer data sets of tyrosine kinase inhibitors, and the mechanism of inhibition was studied using the relative weighted variable importance procedure. Investigating the effect of base learner's strength reveals that boosting is only successful using the classification and regression tree method (a weak to moderate learner) and does not have a significant effect using the radial basis functions partial least square method (a strong base learners). Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
35.
Hossein A. Oskooie Azam Ranjbaran Majid M. Heravi Mitra Ghassemzadeh 《Phosphorus, sulfur, and silicon and the related elements》2013,188(9):1711-1714
Reduction of aromatic nitro compounds to amine with hydroiodic acid was revisited. Under microwave irradiation on solid support the reduction proceeded efficiently and rapidly. 相似文献
36.
Majid M. Heravi Hossein A. Oskooie Pegah Kazemian Fatemeh Drikvand Mitra Ghassemzadeh 《Phosphorus, sulfur, and silicon and the related elements》2013,188(11):2341-2344
Cerium ammonium nitrate (CAN) adsorbed on HNO 3 /silica gel is a mild reagent for selective oxidation of benzylic alcohols to the corresponding aldehydes under microwave irradiation in solventless system. 相似文献
37.
Mohammad Hossein Keshavarz Somayeh Moradi Bahman Ebrahimi Saatluo Hadi Rahimi Ali Reza Madram 《Journal of Thermal Analysis and Calorimetry》2013,112(3):1453-1463
A novel general method is introduced to predict deflagration temperature of organic energetic compounds containing at least –NNO2, –ONO2, or –CNO2 groups. Deflagration temperature is an important safety parameter in working with dangerous energetic compounds and their environmental problems. It is shown that the contribution of some molecular structure parameters can be used to interpret thermal decomposition of an energetic compound. For 86 energetic materials (corresponding to 102 measured values) with different molecular structures, the new correlation has the root mean square (rms) and the average deviations of 23.8 and 19.0 K, respectively. The new method is also tested for some energetic compounds with complex molecular structures, e.g., two new organic energetic molecules N,N′-bis(1,2,4-triazol-3yl)-4,4′-diamino-2,2′,3,3′,5,5′,6,6′-octanitroazobenzene (BTDAONAB) and 2,4,6-trinitrophloroglucinol. 相似文献
38.
Hossein Farsi Seyyed Amirhossein Hosseini 《Journal of Solid State Electrochemistry》2013,17(7):2079-2086
A simple coprecipitation method was used for preparation of monoclinic nanostructured NiWO4 from an aqueous solution at a fixed pH and temperature of 7.0 and 80 °C, respectively. The prepared material was characterized by X-ray diffraction, scanning electron microscopy, photoluminescence spectroscopy, and electrochemical measurements. Nano-NiWO4 was incorporated into a carbon paste electrode and by means of cyclic voltammetry; the electrochemical behavior of methylene blue on the surface of nano-NiWO4 was investigated. A mechanism on terms of obtained cyclic voltammograms showing one reduction peak and two sequential oxidation peaks was suggested by emphasizing on the stabilizing role of nano-NiWO4 for semi-methylene blue. A diffusion coefficient of 5.30?×?10?6 cm2/s was gained for methylene blue. 相似文献
39.
Alireza Najafi Chermhini Hossein Farrokhpour Abbas Teimouri Fatemah Pourmoghaddas 《Structural chemistry》2013,24(4):1215-1227
The tautomerism of all possible forms of imidazole selenone (ISe1–ISe6), induced by proton transfer was studied theoretically in different environments including gas phase, continuum solvent, and microhydrated environment with one explicit water molecule. The calculations were performed at the MP2 and CAM-B3LYP levels of theory, separately. It was found that the imidazole selenone, in the form of ISe3, is the most stable isomer in both gas phase and solvent. The activation energy for conversion of ISe3 to imidazole selenol (ISe6), as the second stable form, is 41.72 and 43.0 kcal/mol in the gas phase and water, respectively. The infrared spectral frequencies as well as the vibrational frequency shifts were reported and assigned to their corresponding vibrational modes. In addition, the variation of dipole moments and charges on the atoms with change of solvent was studied. The energies of HOMO, LUMO, and HOMO–LUMO gap were calculated in both gas phase and solvent. Specific solvent effects with addition of water molecule near the electrophilic centers of tautomers and the transition states of proton transfer, assisted by water molecule, were investigated. It was found that the water molecule can form different hydrogen bonds with the molecule. Aggregation of the isomers with water molecule does not change the order of stability of isomers, but proton transfer reaction assisted by a water molecule needs less energy than when the proton shifts through the intramolecular process. 相似文献
40.
The influence of strain on structural and electronic properties of zig-zag type of boron nitride nanotubes (BNNTs) has been studied by density functional theory calculations. The variations of HOMO–LUMO gaps, geometrical parameters, cohesive energy, radial buckling, isodensity surfaces of the HOMOs and LUMOs, electrophilicity index, chemical potential, and chemical hardness and softness have been investigated for BNNTs at different strains. Our results show that the effect of axial strain on the electronic and structural properties of zig-zag BNNTs depends on the diameter as well as the length of the nanotube. 相似文献