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81.
A palladium-catalyzed dehydrogenative acylation of indoles using easily accessible aldehydes as the acyl source is described. This reaction provides a new approach for the synthesis of 3-acylindoles. 相似文献
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84.
纳米孔碳负载Fe3O4催化剂上苯直接羟基化制苯酚 总被引:1,自引:0,他引:1
Fe3O4/CMK-3 was prepared by impregnation and used as a catalyst for the direct hydroxylation of benzene to phenol with hydro-gen peroxide. The iron species in the prepared catalyst was Fe3O4 because of the partial reduction of iron(III) to iron(II) on the surface of CMK-3. The high catalytic activity of the catalyst arises from the formation of Fe3O4 on the surface of CMK-3 and the high selectivity for phenol is attributed to the consumption of excess hydroxyl radicals by CMK-3. The effect of temperature,re... 相似文献
85.
Magnesium oxide nanopartticels in average size between 35–120 nm were prepared by sonochemistry method. Synthesis of polyhydroquinoline derivatives using MgO nanoparticles from the reaction of dimedone, benzaldehyde, ethyl acetoacetate and ammonium acetate under solvent‐free conditions is reported. Easy handling, reusability, thermal stability and non‐toxicity of the catalyst make the present protocol as an eco‐friendly and economically acceptable method for synthesis of these heterocycles. 相似文献
86.
Fatemeh Niroomand Hosseini Alireza Ariafard Gholamhassan Azimi 《Journal of organometallic chemistry》2011,696(21):3351-3358
Three metal square planar complexes of the type [M(CH3)2(NH3)2] (M = Ni, Pd, Pt), with a systematic variation in the metals, are chosen to investigating their SN2-type oxidative addition reactions with methyl iodide by using the B3LYP levels of theory. The oxidative addition was found to take place via a transition state with a nearly linear arrangement of the I-CH3-M moiety. Solvation effects in these oxidative addition reactions were also investigated. Considering the nature of the metal centre and solvation effects, the following conclusions emerge: (i) addition of MeI is exothermic for all three metals, and Pt is predicted to react with a much lower barrier than either Pd or Ni. The results describe that the MeI addition would be expected to be more favourable with the complex bearing the third-row metal (platinum) as compared to the other triad metals, nickel or palladium, in which case a more strongly bound MeI adduct is formed with a lower activation barriers and the reaction being more exothermic; (ii) the reaction is very difficult to occur in low polar solvents, such as benzene, due to the high barrier which is induced by dissociation of iodide anion from methyl group, but the reaction easily occurs in polar solvents, such as acetonitrile; this is attributed to the ability of polar solvents to solvate and therefore stabilize the related polar intermediate ion pair. Ethane reductive elimination from the M(VI) complexes fac-[M(CH3)3(NH3)2I] were also studied, indicating that the Ni(IV) and Pd(IV) complexes are very prone to undergo the reductive elimination while the Pt(IV) analogous is less reactive towards the reductive elimination. The results indicate that in contrast to the Me-Me reductive elimination, the SN2 oxidative addition reaction of MeI to M(II) is much less sensitive to the nature of the metal centre, suggesting that the nucleophilicity of M(II) in [M(CH3)2(NH3)2] does not change significantly as one moves from M = Ni to Pt. 相似文献
87.
Multiobjective optimization scheme for industrial synthesis gas sweetening plant in GTL process 下载免费PDF全文
In industrial amine plants the optimized operating conditions are obtained from the conclusion of occurred events and challenges that are normal in the working units. For the sake of reducing the costs, time consuming, and preventing unsuitable accidents, the optimization could be performed by a computer program. In this paper, simulation and parameter analysis of amine plant is performed at first. The optimization of this unit is studied using Non-Dominated Sorting Genetic Algorithm-II in order to produce sweet gas with CO 2 mole percentage less than 2.0% and H 2 S concentration less than 10 ppm for application in Fischer-Tropsch synthesis. The simulation of the plant in HYSYS v.3.1 software has been linked with MATLAB code for real-parameter NSGA-II to simulate and optimize the amine process. Three scenarios are selected to cover the effect of (DEA/MDEA) mass composition percent ratio at amine solution on objective functions. Results show that sour gas temperature and pressure of 33.98 ? C and 14.96 bar, DEA/CO 2 molar flow ratio of 12.58, regeneration gas temperature and pressure of 94.92 ? C and 3.0 bar, regenerator pressure of 1.53 bar, and ratio of DEA/MDEA = 20%/10% are the best values for minimizing plant energy consumption, amine circulation rate, and carbon dioxide recovery. 相似文献
88.
Shuman Li Alireza Azizi Steven R. Kirk Samantha Jenkins 《International journal of quantum chemistry》2020,120(19):e26361
We seek to explain why the hydrogen bond possesses unusual strength in small water clusters that account for many of the complex behaviors of water. We have investigated and visualized the donation of covalent character from covalent (sigma) to hydrogen bonds by calculating the eigenvector coupling properties of quantum theory of atoms in molecules (QTAIM), stress tensor σ ( r ), and Ehrenfest Force F ( r ) on the F ( r ) molecular graph. The next-generation three-dimensional (3-D) bond-path framework sets are presented, and only the F ( r ) bond-path framework sets reproduce the earlier finding on the coupling between covalent (sigma) and hydrogen bonds that possess a degree of covalent character. Exploration of the bond-path between the covalent (sigma) and hydrogen bond's critical points provides an explanation for the previously obtained coupling results. The directional character of the covalent (sigma) and hydrogen bonds' 3-D bond-path framework sets for the F ( r ) explains differences found in the earlier results from QTAIM and the stress tensor σ ( r ). 相似文献
89.
A novel organic-inorganic hybrid optical sensor (SBA-NCO) was designed and synthesized through immobilization of isocyanatopropyl-triethoxysilane and 1-amino-naphthalene onto the surface of SBA-15 by post-grafting method. The characterization of materials using XRD, TEM, N2 adsorption-desorption, and FT-IR techniques confirmed the successful attachment of organic moieties and preserving original structure of SBA-15 after modification step. Fluorescence experiments demonstrated that SBA-NCO was a highly selective optical sensor for the detection of Fe3+ directly in water over a wide range of metal cations including Na+, Mg2+, Al3+, K+, Ca2+, Cr3+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Hg2+, and Pb2+ in a wide pH values. 相似文献
90.
Alireza Hasaninejad Khodabakhsh Niknam Abdolkarim Zare Ehsan Farsimadan Mohsen Shekouhy 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1):147-155
Silphox [POCl3-n(SiO2)n] efficiently catalyzes the condensation of benzene-1,2-diamine with mono and dicarboxylic acids under microwave irradiation to afford benzimidazole derivatives in high yields and short reaction times. 相似文献