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101.
Boronate affinity solid phase microextraction (BA-SPME) is a new format appeared recently with great potential for specific extraction of cis-diol-containing compounds. Unlike conventional SPME, BA-SPME relies on covalent interactions and thereby features with specific selectivity, eliminated matrix effect and manipulable capture/release. However, only on-fiber BA-SPME and its off-line combination with high performance liquid chromatography (HPLC) have been reported so far. In this study, we report on-line coupling of in-tube BA-SPME with HPLC-electrospray ionization tandem mass spectroscopy (in-tube BA-SPME-HPLC-ESI-MS/MS) for the specific and sensitive determination of cis-diol-containing biomolecules. A boronate affinity extraction phase was prepared onto the inner surface of the capillary by copolymerization of vinylphenylboronic acid (VPBA) and ethylene glycol dimethacrylate (EDMA). The extraction conditions were optimized by choosing appropriate extraction/desorption solutions and extraction time. The extraction capacity, linear range, reproducibility and life-time were investigated. The developed method was successfully applied for the determination of dopamine in urine samples. Since many cis-diol-containing compounds are of great biological importance, the in-tube BA-SPME-HPLC method can be a promising tool. 相似文献
102.
Dou D Viwanathan P Li Y He G Alliston KR Lushington GH Brown-Clay JD Padmanabhan R Groutas WC 《Journal of combinatorial chemistry》2010,12(6):836-843
The 1-oxo-1, 2, 3, 4-tetrahydroisoquinoline and 1-Oxo-1, 2-dihydroisoquinoline scaffolds were utilized in the design and solution phase synthesis of focused libraries of compounds for screening against West Nile Virus (WNV) protease. Exploratory studies have led to the identification of a WNV protease inhibitor (a 1-oxo-1, 2-dihydroisoquinoline-based derivative, 12j) which could potentially serve as a launching pad for a hit-to-lead optimization campaign. The identified hit was devoid of any inhibitory activity toward a panel of mammalian serine proteases. 相似文献
103.
Bulk MgB2 doped with C and Fe was prepared by using the solid state sintering method with C6H10FeO6 as dopant. The phase composition, microstructure, and superconducting properties were studied. X-ray diffraction (XRD) shows the presence of iron after the doping. The addition of C6H10FeO6 increases the a- and c-axis parameters of MgB2, as evidenced by the shifting of the (100) and (002) peaks to a lower angle on the XRD patterns. Fe atoms were distributed uniformly, as shown by the field emission scanning electron microscope images, while the magnetization of the sample was dominated by the signals from the MgB2 superconductor, although the iron-containing materials also contributed a minor amount of magnetization. The residual resistivity ratio was decreased as the C6H10FeO6 doping level increased. The critical temperature also decreased with increased doping level, as did the critical current density, Jc. The doping also caused decreases in the irreversibility field, Hirr, and the upper critical field, Hc2. The decrease in Hc2 and Hirr, together with the harmful effects from impurity phases such as MgO is the reason for the decrease in Jc. 相似文献
104.
GuoQing Shi Qing Sun HuanJie Yang QingPing Dou QianMin Deng HaiOu Wang GuangRong Zhong 《中国科学:化学(英文版)》2010,53(11):2387-2393
It has been reported that organotins can inhibit the proteasomal chymotrypsin-like activity and induce cell death, but the interaction mode of organotins with proteasome has not been well defined. In this study, the IC50 of butyltins and phenyltins against the proteasomal activity and the nature of their inhibition were investigated. It was found that both mono- and di-organotins were weak, reversible inhibitors against the proteasome, while tributyltin and triphenyltin were potent, irreversible proteasome inhibitors. In silico studies using the reversible organotin proteasome inhibitors demonstrated a tight correlation of the estimated proteasomal inhibition constants (Ki) with the experimental IC50 values for proteasome inhibition. Furthermore, the Sn atom in TBT and TPT was found susceptible to form a coordinate bond with Thr 1 Oγ of the β5 subunit, which may account for the irreversible proteasome inhibition. The computational docking approach well predicted the inhibition nature of organotins toward the proteasomal chymotrypsin-like activity. This predictive model might aid in understanding the cytotoxic behavior of similar organometallic compounds. 相似文献
105.
Yibo Lei Bingbing Suo Yusheng Dou Yubin Wang Zhenyi Wen 《Journal of computational chemistry》2010,31(8):1752-1758
Multireference configuration interaction with single and double excitations (MRCISD) as well as its analytic CI gradients has been implemented in the semiempirical framework. The hole‐particle symmetry and a mixed driven model for computing coupling coefficients have been used in the new code that allows us to perform MRCI and gradient calculations with higher efficiency and less storage requirements. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010 相似文献
106.
Yu-Qian Dou Yunpu Zhai Fanwu Zeng Xiao-Xia Liu Bo Tu Dongyuan Zhao 《Journal of colloid and interface science》2010,341(2):353-358
Composite material PANI/KIT-6, with polyaniline (PANI) chains encapsulated in the 3-D interconnected pore channels of mesoporous silica, KIT-6, has been synthesized via a gas-phase method. The composite formation and the presence of PANI inside the pore channels of KIT-6 were evidenced by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), small-angle X-ray scatter (SAXS), transmission electron microscopy (TEM), and N2 adsorption–desorption isotherms. The PANI/KIT-6 composite showed good electrical conductivity (2.4 × 10?3 S/cm) due to the formation of 3-D networks of PANI inside the 3-D interconnected channels of KIT-6. The resistance of PANI/KIT-6 composite at different relative humidities (RH) was investigated. An essentially linear relationship between the relative resistance of the composite and the relative humidity of the environment was found from 11.3% to 97.3% RH. 相似文献
107.
本文基于密度泛函理论,计算了Fe(CF3SO3)2/PP3催化乙酰丙酸乙酯与甲酸反应转化为γ-戊内酯的反应机理。分析了单重态和三重态反应路径的热力学和动力学性质,结果表明除了预催化剂活化出现势能面交叉外,反应主要在三重态势能面上进行,包括以下几个步骤:甲酸盐配位方式重置,β-H消除得到活性催化剂[FeH(PP3)]+,接着乙酰丙酸乙酯的羰基碳和羰基氧接连被质子化得到中间体4-羟基戊酸乙酯,最后质子化的反离子CF3SO3H作为氢转移梭子协助分子内脱醇—关环生成目标产物γ-戊内酯。进一步探讨不同金属苯基膦配合物的催化活性,证实金属适宜的配位能力是筛选催化剂的关键。理论计算结果为优化设计高性能的生物质转化催化剂提供一定的理论指导。 相似文献
108.
Solid-state dye-doped materials are an attractive alternative to conventional liquid dye solution. In this study, the spectral characteristics of dye cresyl violet before and after intercalating into layered titanate nanosheets and forming a nanohybrid thin film were investigated by measuring absorption and fluorescence spectra. In addition, their nonlinear optical properties were studied using single beam z-scan technique under irradiation of low power continuous wave (CW) produced by DPSS laser with a wavelength of 532 nm. The nonlinear studying results reveal that the dye cresyl violet in solution has a negative nonlinear refractive index, but it reverses to positive after the dye is intercalated into layered titanate nanosheets with a negative nonlinear refractive index forming CV/HTO nanohybrid thin film. This method can provide a way to turn to reverse nonlinear refraction sign of the materials. 相似文献
109.
110.
In the ILC(International Linear Collider)main linac, low emittance preservation is the most important issue for beam dynamics study. As the main sources of emittance dilution, the dispersive and wakefield effects were studied in this paper. The theoretical calculations and numerical simulations of these two effects on single-bunch emittance dilution, without any misalignment errors, are presented in detail. 相似文献