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991.
Sajjad Rashidi Farshad Farzin Mehdi Shanbedi Masoud Rahimipanah Maryam Savari 《Journal of Dispersion Science and Technology》2016,37(9):1277-1286
In order to enhance the thermal properties of turbine oil (TO), three different nanoparticles (CuO, Al2O3, and TiO2) are loaded into the TO. To measure the thermal performance of nanoparticle-based TO nanofluids at laminar flow and under constant heat flux boundary conditions, an experimental setup was applied. The obtained data clearly demonstrate the positive effect of all nanoparticles on the heat transfer rate of TO. As the most important factor, the heat transfer coefficient of the abovementioned two-phase systems is increased upon increasing both the volume concentration and the flow rate. An adaptive neuro-fuzzy inference system (ANFIS) is applied for modeling the effect of critical parameters on the heat transfer coefficient of nanoparticle-TO based nanofluids numerically. The results are compared with experimental ones for training and test data. The results suggest that the developed model is valid enough and promising for predicting the extant of the heat transfer coefficient. R2 and MSE values for all data were 0.990208751 and 108.1150734, respectively. Based on the results, it is obvious that our proposed modeling by ANFIS is efficient and valid, which can be expanded for more general states. 相似文献
992.
Coordination compounds of some transition metal ions with new Schiff base ligand derived from dibenzoyl methane. Structural characterization,thermal behavior,molecular structure,antimicrobial, anticancer activity and molecular docking studies 下载免费PDF全文
Series of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes were prepared with tetradentate Schiff base ligand derived by condensation of 2‐aminophenol with dibenzoylmethane. The novel Schiff base H2L (2–2′‐((1Z,1Z’)‐(1,3‐diphenyl propane‐1,3 diylidene) bis (azanylylidene) diphenol) and its binary metal complexes were characterized by physicochemical procedures i.e. elemental analysis, FT‐IR, UV–Vis, thermal analyses (TGA/DTG), mass spectrometry, magnetic susceptibility and conductometric measurements. On the basis of these studies, an octahedral geometry for all these complexes was proposed expect Ni(II) complex which had tetrahedral geometry. Molar conductivity values revealed that the complexes were electrolytes except Mn(II), Zn(II) and Cd(II) complexes were non electrolytes. The ligand bound to the metal ions via two azomethine N and two phenolic OH as indicated from the IR and 1H NMR spectral study. The molecular and electronic structures of H2L and its zinc complex were optimized theoretically and the quantum chemical parameters were calculated. The antimicrobial activity against a number of bacterial organisms as Streptococcus pneumonia, Bacillus Subtilis, Pseudomonas aeruginosa and Escherichia coli and fungi as Aspergillus fumigates, Syncephalastrum racemosum, Geotricum candidum and Candida albicans by disk diffusion method were screened for the Schiff base and its complexes. The Cd(II) complex has potent antimicrobial activity. Anticancer activity of the Schiff base ligand and its metal complexes were evaluated in human cancer (MCF‐7 cells viability). The Cr(III) complex exhibited higher activity than other complexes and ligand. Molecular docking was used to predict the binding between Schiff base ligand (H2L) and its Zn(II) complex and the receptors of RNA of amikacin antibiotic (4P20) and human‐DNA‐Topo I complex (1SC7). The docking study provided useful structural information for inhibition studies. 相似文献
993.
在利用迈克尔逊干涉原理测量金属热膨胀系数的基础上,运用CCD成像系统取代原有观察屏,更利于观察并记录数据。 相似文献
994.
J. W. Shaner 《高压研究》2013,33(1-6):469-471
Abstract The recent discovery of a solid-solid phase change in shock-compressed Mo and the theoretical interpretation suggest valence d-electron density as a major influence on structural stability. The relationship of this experimental result to the transition metal structures and alloy phase diagrams will be discussed. Specific predictions will be presented for the locations and slopes of transition metal and transition metal alloy phase boundaries. 相似文献
995.
Melanie Schmidlehner Felix Faschinger Lorenz Michael Reith Martin Ertl Wolfgang Schoefberger 《应用有机金属化学》2013,27(7):395-405
In this study, novel water‐soluble corrole amino acid conjugates were synthesized and characterized. The coupling reaction of A2B‐ and A3‐corroles with glycine ethyl ester and taurine under strong basic conditions proved to be successful and yielded di‐ and trifunctionalized corrole amino acid conjugates in good yields. The subsequent metalation of the corrole/amino acid conjugates broadens the scope for applications considerably. As examples, we herein show the catalytic activity of the Mn(III) A3‐corrole towards O2 evolution. First we employed tert‐butyl hydroperoxide (t‐BuOOH) as oxidant to obtain the Mn(V)oxo species and tetrabutyl ammonium hydroxide (TBAH) as hydroxide donor agent. Furthermore, the binding properties of the non‐metalated and the Mn(III) A3‐corrole/amino sulfonic acid conjugates and transport of proteins were investigated and the conjugates exhibited binding to human serum albumin (HSA). Finally, a novel Ga(III) A3‐corrole/amino sulfonic acid derivative was synthesized and we briefly describe the photophysical properties of this compound. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
996.
Rolf Appel Nikolaos Siabalis 《Phosphorus, sulfur, and silicon and the related elements》2013,188(3-4):273-274
Abstract Reactions of carbonyl cyclopentadienyl hydrides from molybdenum and tungsten with 1,4-diphosphabuta-1,3-diene yield metalla-diphospha-pentadiene with a metal-phosphorus-double bond. Metalla-diphosphapentadiene mit einer Metall-Phosphor-Doppelbindung werden durch Umsetzung von Carbonylcyclopentadienylhydriden des Molybdäns und Wolframs mit einem 1,4-Diphospha-buta-1,3-dien erhalten. 相似文献
997.
Ekta Shandilya Basundhara Dasgupta Dr. Subhabrata Maiti 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(29):7831-7836
Understanding the fundamental facts behind dynamicity of catalytic processes has been a longstanding quest across disciplines. Herein, we report self-assembly of catalytically active gold nanorods that can be regulated by tuning its reactivity towards a proton transfer reaction at different pH. Unlike substrate-induced templating and co-operativity, the enhanced aggregation rate is due to alteration of catalytic surface charge only during reactivity as negatively charged transition state of reactant (5-nitrobenzisoxazole) is formed on positively charged nanorod while undergoing a concerted E2-pathway. Herein, enhanced diffusivity during catalytic processes might also act as an additional contributing factor. Furthermore, we have also shown that nanosized hydrophobic cavities of clustered nanorods can also efficiently accelerate the rate of an aromatic nucleophilic substitution reaction, which also demonstrates a catalytic phenomenon that can lead to cascading of other reactions where substrates and products of the starting reactions are not directly involved. 相似文献
998.
Three‐dimensional direct numerical simulation results of flow past a circular cylinder are influenced by numerical aspects, for example the spanwise domain length and the lateral boundary condition adopted for the simulation. It is found that inappropriate numerical set‐up, which restricts the development of intrinsic wake structure, leads to an over‐prediction of the onset point of the secondary wake instability (Recr). A best practice of the numerical set‐up is presented for the accurate prediction of Recr by direct numerical simulation while minimizing the computational cost. The cylinder span length should be chosen on the basis of the intrinsic wavelength of the wake structure to be simulated, whereas a long span length is not necessary. For the wake transitions above Recr, because the wake structures no longer follow particular wavelengths but become disordered and chaotic, a span length of more than 10 cylinder diameters (approximately three times the intrinsic wavelength) is recommended for the simulations to obtain wake structures and hydrodynamic forces that are not strongly restricted by the numerical set‐up. The performances of the periodic and symmetry lateral boundary conditions are compared and discussed. The symmetry boundary condition is recommended for predicting Recr, while the periodic boundary condition is recommended for simulating the wake structures above Recr. The general conclusions drawn through a circular cylinder are expected to be applicable to other bluff body configurations. Copyright © 2017 John Wiley & Sons, Ltd. 相似文献
999.
Maria Pizzoli Giovanni Pezzin Giuseppina Ceccorulli 《Journal of Macromolecular Science: Physics》2013,52(2):241-250
Samples of poly(vinyl chloride) plasticized with variable amounts of either dibutyl phthalate (DPB) or dicyclohexyl phthalate (DCHP) were investigated by dynamic-mechanical measurements in the β relaxation temperature range. In this range of temperature, a superposition of the relaxation due to the cyclohexyl group with the PVC β peak was found for the samples plasticized with DCHP. By studying the dependence of the activation energy and of the peak broadness on the DCHP concentration it was possible to show that the PVC β relaxation is reduced to zero at the critical plasticizer weight fraction W1 = 0.2. For the PVC-DBP series the β peak disappears at the same plasticizer content. These results strengthen the hypothesis that the β peak of PVC is due to a kind of cooperative motion since 1 mole of plasticizer for every 20 repeating units of the polymer is sufficient to suppress the PVC β relaxation. 相似文献
1000.
A semiempirical method has been used to study the electronic structures of some π-bonded purely organic materials that are either known or proposed to have multiplet ground states. These materials are the precursors of organic ferromagnets. Narrow energy bands formed from the radical π-orbitals of these materials are necessary for the π-electrons to be unpaired. Favorable topological arrangements of atoms in these materials are needed to enable the spins of these electrons to align parallel, and hence yield macroscopic ferromagnetic ordering. Following ideas based on these studies, a new model for a possible organic ferromagnet is proposed and studied. 相似文献