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651.
Milad Kazemnejadi Alireza Shakeri Mohammad Mohammadi Marzieh Tabefam 《Journal of the Iranian Chemical Society》2017,14(9):1917-1933
The present work introduced the new strategy for direct preparation of Schiff base as well as oxime compounds through oxidation of primary benzylic or allylic alcohols in the presence of amines by complexation of Mn(III) to a polymeric Schiff base ligand based on polysalicylaldehyde (PSA-Schiff base-Mn(III) complex). As a new environmentally benign protocol, manganese heterogeneous polymeric catalytic system demonstrated promising oxidation of alcohols in ethanol using molecular oxygen. PSA was synthesized through polycondensation reaction of 2-hydroxy-5-chloromethyl-benzaldehyde and then treated with 2-aminophenol to form polymeric ligand. Average molecular weight of PSA was studied by an analytical method as well as GPC analysis. Formation of the catalyst was characterized step by step by FTIR, UV–Vis, 1H NMR, TGA, CHN and EDX analyses. Loading amounts of metal ions as well as leaching amount of the catalysis were studied by ICP-OES instrument. The catalyst shows up to high yields for oxidation of primary and secondary primary benzylic or allylic alcohols to carbonyl compounds, especially direct imine formation in a mild, inexpensive and efficient method which can be successfully recovered from the reaction mixture and reused for several times without any remarkable reactivity loss. Effect of solvent, temperature, catalyst amount and oxygen donors along with some blank experiments to elucidation of catalyst activity was evaluated in this work. Also chemoselectivity behavior of the catalyst was investigated with some combinations. 相似文献
652.
Gholam Hossein Rounaghi Iman Razavipanah Behjat Deiminiat Fahimeh Razghandi Esmat Koohsarian Najmeh Abedinzadeh 《Journal of the Iranian Chemical Society》2014,11(3):599-606
The complexation processes among Li+, Na+, K+, and NH4 + cations with the macrocyclic ligand, 15-crown-5 (15C5) have been studied in acetonitrile–methanol binary mixtures at different temperatures using conductometric method. The stability constants of the resulting 1:1 complexes were calculated from the computer fitting of the molar conductance–mole ratio data at various temperatures. The values of thermodynamic parameters ( $ \Updelta H_{\text{c}}^{^\circ } $ and $ \Updelta S_{\text{c}}^{^\circ } $ ) for the formation of the complexes were obtained from temperature dependence of the stability constants of complexes using van’t Hoff plots. In addition, a theoretical study has been carried out using density functional theory to obtain the stability of the complexes and the geometrical structure of the 15C5 and its complexes with Li+, Na+, K+ and NH4 + cations in the gas phase. We compared the experimental data with those obtained by quantum chemistry calculations to investigate the effect of the solvent on complexation process. 相似文献
653.
Ahmad Seif Lila Torkashavand Fatemeh Mohammadi 《Central European Journal of Chemistry》2014,12(2):131-139
We have investigated oxygen decorating in the (10, 0) aluminum nitride nanotube (AlNNT) by density functional theory. Band gaps, total (TDOS) and partial (PDOS) densities of state and chemical-shielding isotropic (CSI) and chemical-shielding anisotropic (CSA) have been calculated or determined in three models of the investigated (10, 0) AlNNT: pristine (model.0), O-decorating at the one ring in the middle of AlNNT (Model.1) and O-decorating at the nitrogen mouth of AlNNT (Model.2). The results indicated that the dipole moment does not detect the significant effects of dopant whereas TDOS, PDOS and band gap energies detect notable effects. The CSI and CSA values for the Al and N atoms-contributed to the Al-O bonds or those atoms close to the decorated region, in both models of O-decorated AlNNTs are changed. 相似文献
654.
655.
S. Arshadi A. R. Bekhradnia E. Mohammadi A. Asghari 《Journal of Structural Chemistry》2014,55(4):629-635
The properties of the electronic structure of the Disiline-doped boron nitride nanotubes (Disiline-BNNTs) are investigated by a density functional theory (DFT) calculation. The structural forms are firstly optimized and the CS tensors calculated. Subsequently, the chemical-shielding isotropic (CSI) and chemical shielding anisotropic (CSA) parameters are found. The shielding values of boron (B) and nitrogen (N) atoms were calculated by Gauge-Including Atomic Orbital (GIAO), Continuous Set of Gauge Transformations (CSGT) and Individual Gauges for Atoms in Molecules (IGAIM) methods, using B3LYP/6-311+G*. The B3LYP level of theory with IGAIM was the best method to evaluate the theoretical chemical shifts for studied models. The results reveal a significant effect of Disiline doping on the chemical shielding tensors at the sites of those 11B and 15N nuclei located in the nearest neighborhood of the Disiline-doped ring. Furthermore, the values of dipole moments and HOMO-LUMO gaps change in the Disiline-doped models in comparison with the original pristine model. 相似文献
656.
A combinatorial synthesis and evaluation of antibacterial activity against clinically isolated resistant strains of Gram-positive and Gram-negative bacteria of 3′-(phenylamino)-1′H-spiro[indoline-3,2′-quinazoline]-2,4′(3′H)-dione derivatives is described. 相似文献
657.
Malihe Mohammadi Mona Atabakhshi Kashi Shekufeh Zareian Manoochehr Mirshahi Khosro Khajeh 《Applied biochemistry and biotechnology》2014,172(1):157-167
Lately it has been proposed that interaction between two positively charged side chains can stabilize the folded state of proteins. To further explore this point, we studied the effect of histidine–histidine interactions on thermostability of methylglyoxal synthase from Thermus sp. GH5 (TMGS). The crystal structure of TMGS revealed that His23, Arg22, and Phe19 are in close distance and form a surface loop. Here, two modified enzymes were produced by site-directed mutagenesis (SDM); one of them, one histidine (TMGS-HHO), and another two histidines (TMGS-HHHO) were inserted between Arg22 and His23 (HO). In comparison with the wild type, TMGS-HHO thermostability increased remarkably, whereas TMGS-HHHO was very unstable. To explore the role of His23 in the observed phenomenon, the original His23 in TMGS-HHHO was replaced with Ala (TMGS-HHA). Our data showed that the half-life of TMGS-HHA decreased in relation to the wild type. However, its half-life increased in comparison with TMGS-HHHO. These results demonstrated that histidine–histidine interactions at position 23 in TMGS-HHO probably have the main role in TMGS thermostability. 相似文献
658.
Safartoobi Masoumeh Dardel Morteza Mohammadi Daniali Hamidreza 《Nonlinear dynamics》2022,109(4):2615-2636
Nonlinear Dynamics - To simulate the complex human walking motion accurately, a suitable biped model has to be proposed that can significantly translate the compliance of biological structures. In... 相似文献
659.
Dynamic mechanical spectroscopy and differential scanning calorimetry investigations of segmental dynamics are reported for net-poly(methyl methacrylate)-co-poly(n-butyl acrylate) copolymer networks. Three characteristic temperatures, namely, Vogel (T∞), glass transition (T g ), and crossover (T c ), were used to define cooperativity range and a new reduced temperature parameter (Solidness, S). The results showed that broadness of the α -dispersion (glass transition) and cooperativity length scale at the glass transition temperature decreased with increasing butyl acrylate content and T g -scaled temperature dependence of the relaxation time (fragility). However, the cooperativity range (T c –T∞), decreased with increasing fragility index. Furthermore, the solidness at T g (S(T g )) was nearly independent of chemical structure of the samples. Finally, a correlation was found between two measures of cooperativity length scale in the glass transition region, namely, average volume of cooperatively rearranging regions, V CRR , and the number of basic units in an act of rearrangement in the glass transition region, Z(T g ), determined from two completely independent experimental techniques. 相似文献
660.
Limiters play a number of roles in the tokamak operation. It serves primarily to protect the wall from the plasma when there are disruptions, runaway electrons, or other instabilities and also the limiters localize the plasma–surface interaction. In this research, we presented the first results of movable limiter experiments and its effects on the tokamak plasma confinement. For this purpose, we designed, constructed, and installed a movable localized poloidal limiter, and then measured the effects of limiter position on the time intervals of plasma parameters such as plasma density, temperature, and energy confinement time. The results of effects of the movable limiter experiments on plasma confinement. 相似文献