全文获取类型
收费全文 | 768篇 |
免费 | 21篇 |
国内免费 | 1篇 |
专业分类
化学 | 676篇 |
晶体学 | 5篇 |
力学 | 6篇 |
数学 | 66篇 |
物理学 | 37篇 |
出版年
2023年 | 8篇 |
2022年 | 13篇 |
2021年 | 20篇 |
2020年 | 8篇 |
2019年 | 13篇 |
2018年 | 9篇 |
2017年 | 7篇 |
2016年 | 12篇 |
2015年 | 16篇 |
2014年 | 28篇 |
2013年 | 40篇 |
2012年 | 55篇 |
2011年 | 63篇 |
2010年 | 27篇 |
2009年 | 18篇 |
2008年 | 38篇 |
2007年 | 49篇 |
2006年 | 46篇 |
2005年 | 41篇 |
2004年 | 42篇 |
2003年 | 41篇 |
2002年 | 31篇 |
2001年 | 10篇 |
2000年 | 10篇 |
1999年 | 9篇 |
1998年 | 9篇 |
1997年 | 10篇 |
1996年 | 6篇 |
1995年 | 5篇 |
1994年 | 5篇 |
1993年 | 3篇 |
1992年 | 3篇 |
1989年 | 3篇 |
1987年 | 3篇 |
1986年 | 3篇 |
1985年 | 4篇 |
1984年 | 5篇 |
1982年 | 5篇 |
1981年 | 3篇 |
1979年 | 4篇 |
1977年 | 4篇 |
1975年 | 4篇 |
1959年 | 2篇 |
1937年 | 3篇 |
1932年 | 7篇 |
1928年 | 2篇 |
1927年 | 2篇 |
1925年 | 4篇 |
1911年 | 4篇 |
1908年 | 3篇 |
排序方式: 共有790条查询结果,搜索用时 15 毫秒
11.
The enantioselective monoreduction of 2-alkyl 1,3-diketones by dynamic kinetic resolution using optically active ruthenium catalysts allowed the preparation of the C14-C25 fragment of bafilomycin A1. 相似文献
12.
Thallium was determined in natural waters by anodic stripping voltammetry at a hanging mercury drop electrode, in acetate buffer pH 4.6+EDTA, after preconcentration and separation on an anion exhange resin. For Pacific Ocean surface waters a mean value of 13.0±1.4 ng Tl l?1 was found, while for freshwater samples the value was 3.7±1.0 ng Tl l?1. Thermodynamic considerations of thallium speciation predict that both in seawater and freshwater thallium exists primarily in the trivalent state. This was confirmed by experiment. 相似文献
13.
Florence Babonneau Christine Toutou Stéphanie Gavériaux 《Journal of Sol-Gel Science and Technology》1997,8(1-3):553-556
17O NMR experiments using enriched water were performed to followthe hydrolysis-condensation process of dimethyldiethoxysilanetetraethoxysilane and a 1/1 mixture of dimethyldiethoxysilane andtetraethoxysilane (H2O/OEt = 0.5; pH = 2). The spectrarecorded over several hours time period were simulated to followquantitatively the variations of residual water, hydroxyl groups(Si–17
H) and oxo bridges (Si–17
–Si). Presence of a resonance signal due oxo bridges between di- andtetrafunctional Si units clearly demonstrates that co-condensationreactions occur to a large extent between the two alkoxides, and that thesebonds are stable during the aging period. 相似文献
14.
Graeme Cooke Hugues A de Cremiers Florence M.A DuclairoirJulie Leonardi Georgina RosairVincent M Rotello 《Tetrahedron》2003,59(18):3341-3347
We describe the electrochemically controlled hydrogen bonding interactions between the isobutyl flavin/2,6-diferrocenylamidopyridine (2·5) and 9,10-phenanthrenequinone/1-ferrocenyl-3-hexylurea (4·6) dyads. Cyclic and square wave voltammetry studies have shown that the binding efficiencies between these moieties can be electrochemically actuated in non-polar (CH2Cl2 for 2·5) or polar (DMF for 4·6) organic solvents between three distinct states. 相似文献
15.
Yockot D Moreau V Demailly G Djedaïni-Pilard F 《Organic & biomolecular chemistry》2003,1(10):1810-1818
The synthesis of branched beta-cyclodextrins substituted with mannosyl mimetic derivatives at one primary hydroxy group is described. It was shown that the self-inclusion phenomenon observed for the target compounds in water did not preclude the inclusion properties of the cyclodextrin moiety. 相似文献
16.
The reduction of 2-alkyl-1,3-diketones using (R,R)- or (S,S)-RuCl[N-(tosyl)-1,2-diphenylethylenediamine](p-cymene) in the presence of formic acid and triethylamine affords syn-2-alkyl-3-hydroxy ketones as the major products with high enantioselectivity. [reaction: see text] 相似文献
17.
Iron-catalyzed homo-coupling of simple and functionalized arylmagnesium reagents is described. The reaction is highly chemoselective (CN, COOEt and NO(2) groups are tolerated). The procedure was used to perform intramolecular couplings. This cyclization reaction is the key step of the total synthesis of the N-methylcrinasiadine. 相似文献
18.
In this review, we discuss a number of computational methods that have been developed or adapted for molecule classification and virtual screening (VS) of compound databases. In particular, we focus on approaches that are complementary to high-throughput screening (HTS). The discussion is limited to VS methods that operate at the small molecular level, which is often called ligand-based VS (LBVS), and does not take into account docking algorithms or other structure-based screening tools. We describe areas that greatly benefit from combining virtual and biological screening and discuss computational methods that are most suitable to contribute to the integration of screening technologies. Relevant approaches range from established methods such as clustering or similarity searching to techniques that have only recently been introduced for LBVS applications such as statistical methods or support vector machines. Finally, we discuss a number of representative applications at the interface between VS and HTS. 相似文献
19.
Xue L Stahura FL Bajorath J 《Journal of chemical information and computer sciences》2004,44(6):2032-2039
Fingerprint scaling is a method to increase the performance of similarity search calculations. It is based on the detection of bit patterns in keyed fingerprints that are signatures of specific compound classes. Application of scaling factors to consensus bits that are mostly set on emphasizes signature bit patterns during similarity searching and has been shown to improve search results for different fingerprints. Similarity search profiling has recently been introduced as a method to analyze similarity search calculations. Profiles separately monitor correctly identified hits and other detected database compounds as a function of similarity threshold values and make it possible to estimate whether virtual screening calculations can be successful or to evaluate why they fail. This similarity search profile technique has been applied here to study fingerprint scaling in detail and better understand effects that are responsible for its performance. In particular, we have focused on the qualitative and quantitative analysis of similarity search profiles under scaling conditions. Therefore, we have carried out systematic similarity search calculations for 23 biological activity classes under scaling conditions over a wide range of scaling factors in a compound database containing approximately 1.3 million molecules and monitored these calculations in similarity search profiles. Analysis of these profiles confirmed increases in hit rates as a consequence of scaling and revealed that scaling influences similarity search calculations in different ways. Based on scaled similarity search profiles, compound sets could be divided into different categories. In a number of cases, increases in search performance under scaling conditions were due to a more significant relative increase in correctly identified hits than detected false-positives. This was also consistent with the finding that preferred similarity threshold values increased due to fingerprint scaling, which was well illustrated by similarity search profiling. 相似文献
20.
Mongin F Mojovic L Guillamet B Trécourt F Quéguiner G 《The Journal of organic chemistry》2002,67(25):8991-8994
The first nickel-catalyzed cross-coupling reactions between fluoroarenes and aryl organometallics using commercially available ligands are described. The nickel-catalyzed cross-coupling reactions between aryl Grignard reagents and fluoroazines and -diazines occurred in THF at room temperature using commercially available 1,2-bis(diphenylphosphino)ethane, 1,3-bis(diphenylphosphino)propane, or 1,1'-bis(diphenylphosphino)ferrocene as ligand. Various fluoro substrates such as pyridines, diazines (pyrazine, pyridazine), benzodiazines (quinoxaline), and quinolines were successfully involved in the reaction with phenylmagnesium halides (phenylmagnesium chloride, 2-methoxyphenylmagnesium bromide, and 4-methoxyphenylmagnesium bromide). The conditions used also allowed the cross-coupling of 4-fluorotoluene with arylmagnesium reagents. 相似文献