全文获取类型
收费全文 | 8229篇 |
免费 | 1195篇 |
国内免费 | 469篇 |
专业分类
化学 | 4056篇 |
晶体学 | 30篇 |
力学 | 852篇 |
综合类 | 196篇 |
数学 | 2361篇 |
物理学 | 2398篇 |
出版年
2024年 | 4篇 |
2023年 | 109篇 |
2022年 | 218篇 |
2021年 | 335篇 |
2020年 | 407篇 |
2019年 | 267篇 |
2018年 | 258篇 |
2017年 | 368篇 |
2016年 | 443篇 |
2015年 | 363篇 |
2014年 | 505篇 |
2013年 | 498篇 |
2012年 | 516篇 |
2011年 | 478篇 |
2010年 | 410篇 |
2009年 | 499篇 |
2008年 | 467篇 |
2007年 | 472篇 |
2006年 | 446篇 |
2005年 | 389篇 |
2004年 | 351篇 |
2003年 | 296篇 |
2002年 | 245篇 |
2001年 | 202篇 |
2000年 | 208篇 |
1999年 | 159篇 |
1998年 | 171篇 |
1997年 | 126篇 |
1996年 | 98篇 |
1995年 | 111篇 |
1994年 | 84篇 |
1993年 | 73篇 |
1992年 | 60篇 |
1991年 | 36篇 |
1990年 | 35篇 |
1989年 | 25篇 |
1988年 | 17篇 |
1987年 | 18篇 |
1986年 | 17篇 |
1985年 | 32篇 |
1984年 | 18篇 |
1983年 | 5篇 |
1982年 | 8篇 |
1981年 | 5篇 |
1980年 | 6篇 |
1979年 | 14篇 |
1978年 | 6篇 |
1977年 | 6篇 |
1976年 | 5篇 |
1971年 | 2篇 |
排序方式: 共有9893条查询结果,搜索用时 281 毫秒
101.
纳米羟基磷灰石制备及其对溶液中苯酚吸附的优化设计 总被引:3,自引:0,他引:3
采用化学沉淀法制备得到纳米羟基磷灰石(n-HAp)粉体,研究了n-HAp粉体对水溶液中苯酚的吸附性能,并初步探讨了其在粉体上的吸附机理,在低浓度(5~30mg/L)时的吸附符合Freundlich等温吸附模型。实验结果表明,n-HAp粉体对苯酚具有较好的吸附效果,2h可基本达到吸附平衡。利用正交设计实验探讨了粉体煅烧温度、吸附温度、吸附时间、溶液pH等因素对吸附效果的影响。正交实验结果统计分析表明,各种因素对吸附的影响程度依次为:溶液pH>煅烧温度>振荡温度>振荡时间。pH对吸附性能的影响最明显,强酸和强碱环境能有效提高n-HAp对苯酚的吸附量。 相似文献
102.
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
103.
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
104.
105.
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
106.
重整汽油近红外光谱的稳健偏最小二乘解析 总被引:1,自引:0,他引:1
近红外光谱(NIR)光谱复杂,组分间光谱重叠严重,目前,多元线性回归(MultipleLinearRe gression,MLR)和偏最小二乘法(PartialLeast squares,PLS)是近红外光谱分析中使用最多和效果较好的方法[1]。稳健偏最小二乘(RobustPartialLeast Squares,RPLS)是由稳健统计学构造的具有稳健性能的多元校正方法。当化学测量中引入随机异常点或误差的内在分布偏离正态分布时,它仍能给予接近最优性能的校正,确保分析结果的准确性,是消除奇异点的非常有效的方法[2-4],… 相似文献
107.
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
108.
109.
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
110.
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