全文获取类型
收费全文 | 7705篇 |
免费 | 1099篇 |
国内免费 | 445篇 |
专业分类
化学 | 4010篇 |
晶体学 | 30篇 |
力学 | 777篇 |
综合类 | 188篇 |
数学 | 1941篇 |
物理学 | 2303篇 |
出版年
2024年 | 9篇 |
2023年 | 101篇 |
2022年 | 212篇 |
2021年 | 309篇 |
2020年 | 387篇 |
2019年 | 253篇 |
2018年 | 237篇 |
2017年 | 341篇 |
2016年 | 403篇 |
2015年 | 345篇 |
2014年 | 463篇 |
2013年 | 462篇 |
2012年 | 485篇 |
2011年 | 454篇 |
2010年 | 383篇 |
2009年 | 471篇 |
2008年 | 432篇 |
2007年 | 450篇 |
2006年 | 421篇 |
2005年 | 361篇 |
2004年 | 327篇 |
2003年 | 279篇 |
2002年 | 231篇 |
2001年 | 184篇 |
2000年 | 188篇 |
1999年 | 148篇 |
1998年 | 158篇 |
1997年 | 112篇 |
1996年 | 96篇 |
1995年 | 104篇 |
1994年 | 82篇 |
1993年 | 70篇 |
1992年 | 60篇 |
1991年 | 34篇 |
1990年 | 29篇 |
1989年 | 25篇 |
1988年 | 14篇 |
1987年 | 16篇 |
1986年 | 16篇 |
1985年 | 26篇 |
1984年 | 16篇 |
1983年 | 5篇 |
1982年 | 8篇 |
1981年 | 3篇 |
1980年 | 6篇 |
1979年 | 14篇 |
1978年 | 5篇 |
1977年 | 6篇 |
1976年 | 5篇 |
1971年 | 2篇 |
排序方式: 共有9249条查询结果,搜索用时 93 毫秒
91.
Rivard C. J. Himmel M. E. Vinzant T. B. Adney W. S. Wyman C. E. Grohmann K. 《Applied biochemistry and biotechnology》1989,(1):461-478
Economic evaluations of the capital costs for anaerobic digestion systems for gas production show that the reactor is a significant
cost component. The successful application of high solids digestion of processed MSW (e.g., greater than 10% solids within
the digester) would allow a decrease in reactor volume with maintenance of relatively high gas production rates. However,
high solids slurries do not mix well in conventional stirred tank reactors. A horizontal shaft, hydraulically driven reactor
was designed and fabricated to test the anaerobic digestion of high solids concentrations. Digester performance was evaluated
as a function of experimental parameters such as nutrient requirements, feeding rates, pH control, and agitator design/ rotation
speed; horsepower of mixing was also evaluated for the reactor. Several startup protocols were examined to obtain a biologically
stable anaerobic fermentation at high solids levels. 相似文献
92.
The recent progress of wide bandgap (WBG) donor polymers for non-fullerene polymer solar cells (NF-PSCs) were reviewed in detail, which was classified by D-type and D-A type molecular backbones to discuss the related structure-property correlations and put forward an outlook for future innovations. 相似文献
93.
94.
The discovery of selective cyclooxygenase-2 (COX-2) inhibitors represents a major achievement of the efforts over the past few decades to develop therapeutic treatments for inflammation. To gain insights into designing new COX-2-selective inhibitors, we address the energetic and structural basis for the selective inhibition of COX isozymes by means of a combined computational protocol involving docking experiment, force field design for the heme prothetic group, and free energy perturbation (FEP) simulation. We consider both COX-2- and COX-1-selective inhibitors taking the V523I mutant of COX-2 to be a relevant structural model for COX-1 as confirmed by a variety of experimental and theoretical evidences. For all COX-2-selective inhibitors under consideration, we find that free energies of binding become less favorable as the receptor changes from COX-2 to COX-1, due to the weakening and/or loss of hydrogen bond and hydrophobic interactions that stabilize the inhibitors in the COX-2 active site. On the other hand, COX-1-selective oxicam inhibitors gain extra stabilization energy with the change of residue 523 from valine to isoleucine because of the formations of new hydrogen bonds in the enzyme-inhibitor complexes. The utility of the combined computational approach, as a valuable tool for in silico screening of COX-2-selective inhibitors, is further exemplified by identifying the physicochemical origins of the enantiospecific selective inhibition of COX-2 by -substituted indomethacin ethanolamide inhibitors. 相似文献
95.
A method is proposed for the estimation of absolute binding free energy of interaction between proteins and ligands. Conformational sampling of the protein-ligand complex is performed by molecular dynamics (MD) in vacuo and the solvent effect is calculated a posteriori by solving the Poisson or the Poisson-Boltzmann equation for selected frames of the trajectory. The binding free energy is written as a linear combination of the buried surface upon complexation, SASbur, the electrostatic interaction energy between the ligand and the protein, Eelec, and the difference of the solvation free energies of the complex and the isolated ligand and protein, deltaGsolv. The method uses the buried surface upon complexation to account for the non-polar contribution to the binding free energy because it is less sensitive to the details of the structure than the van der Waals interaction energy. The parameters of the method are developed for a training set of 16 HIV-1 protease-inhibitor complexes of known 3D structure. A correlation coefficient of 0.91 was obtained with an unsigned mean error of 0.8 kcal/mol. When applied to a set of 25 HIV-1 protease-inhibitor complexes of unknown 3D structures, the method provides a satisfactory correlation between the calculated binding free energy and the experimental pIC5o without reparametrization. 相似文献
96.
97.
Ranjana Yadav 《European Polymer Journal》2007,43(8):3531-3537
Models capable of predicting the maximum extent of conversion (p) of cardanol-based novolac-type phenolic resin, have been developed using response surface methodology to determine the optimum reaction conditions. Three-dimensional response surface and their contour plot were drawn. The maximum extent of conversion (98.93%) was predicted when the cardanol was condensed with formaldehyde (molar ratio 1:0.652) at 119.84 °C for a time period of 3 h with the catalyst (e.g., citric acid) concentration of 1.988% of total volume of cardanol and formaldehyde. The pH of the reaction mixture was maintained at 3.0. These predicted values for optimum process conditions were in good agreement with experimental data. 相似文献
98.
G. Buchbauer H. Spreitzer B. Öckher C. Pretterklieber I. Piringer P. Wolschann 《Monatshefte für Chemie / Chemical Monthly》1995,126(4):467-472
Summary Guided by molecular modeling studies, the synthesis of the title compound is described. The organoleptic evaluation proved the predicted real sandal like odour of (Z)-dehydro-homo--santalol.
Aus den Diplomarbeiten von C.P. (1991), I.P. und B.Ö. (1992), Universität Wien 相似文献
99.
100.
A novel type of heterogenized CuCl2 catalysts was designed for the oxidative carbonylation of methanol to dimethyl carbonate (DMC) taking account of the plausible reaction mechanism and intermediates. To prevent severe corrosion of the reaction equipment materials due to Cl– while keeping the catalytic activity of the homogeneous CuCl2 catalyst, we adopted, as supports (or ligands) of CuCl2, four polymers, bearing a 2,2-bipyridine (bpy) or pyridine (py) unit, namely, poly(2,2-bipyridine-5,5-diyl) (Pbpy), poly(pyridine-2,5-diyl) (Ppy), poly(N,N-bisphenylene-2,2-bipyridine-4,4-dicarboxylic amide) (Bpya), and poly(4-methyl-4-vinyl-2,2-bipyridine) (Pvbpy), together with one chelate compound, 8-quinolinol. The catalytic activity, stability of heterogenized CuCl2 and their corrosivities to stainless steels were examined in the liquid-phase reaction of the oxidative carbonylation of methanol. These polymer-supported catalysts showed considerable catalytic activity and stability for the DMC synthesis. In particular, the Pbpy-CuCl2 and Ppy-CuCl2 catalysts exhibited high DMC yields and selectivity comparable to those of the homogeneous CuCl2 catalyst. This high activity appears to be associated with the presence of the -conjugated system in the polymers, which affect the redox reactions of Cu involved in the catalytic reaction. All of the polymer-supported CuCl2 catalysts could be easily recycled after filtration, and the initial catalytic activity was maintained after three times of use. The corrosive characters of the catalysts were closely related to CuCl2 leaching from the supports, which reflects the ability of supports to coordinate Cu. These experimental results suggest that both the electronic structure and the coordination ability of the polymer supports are key factors for the development of an effective catalytic system. 相似文献