全文获取类型
收费全文 | 935篇 |
免费 | 31篇 |
国内免费 | 2篇 |
专业分类
化学 | 655篇 |
晶体学 | 1篇 |
力学 | 13篇 |
数学 | 186篇 |
物理学 | 113篇 |
出版年
2023年 | 9篇 |
2022年 | 10篇 |
2021年 | 10篇 |
2020年 | 25篇 |
2019年 | 25篇 |
2018年 | 9篇 |
2017年 | 12篇 |
2016年 | 34篇 |
2015年 | 29篇 |
2014年 | 27篇 |
2013年 | 36篇 |
2012年 | 50篇 |
2011年 | 53篇 |
2010年 | 35篇 |
2009年 | 37篇 |
2008年 | 62篇 |
2007年 | 65篇 |
2006年 | 51篇 |
2005年 | 60篇 |
2004年 | 40篇 |
2003年 | 48篇 |
2002年 | 31篇 |
2001年 | 20篇 |
2000年 | 27篇 |
1999年 | 20篇 |
1998年 | 13篇 |
1997年 | 13篇 |
1996年 | 11篇 |
1995年 | 6篇 |
1994年 | 4篇 |
1993年 | 4篇 |
1992年 | 7篇 |
1991年 | 4篇 |
1990年 | 6篇 |
1989年 | 3篇 |
1988年 | 3篇 |
1987年 | 4篇 |
1985年 | 5篇 |
1984年 | 4篇 |
1983年 | 4篇 |
1982年 | 4篇 |
1979年 | 4篇 |
1977年 | 4篇 |
1976年 | 7篇 |
1969年 | 4篇 |
1968年 | 3篇 |
1962年 | 3篇 |
1961年 | 2篇 |
1960年 | 2篇 |
1920年 | 2篇 |
排序方式: 共有968条查询结果,搜索用时 0 毫秒
21.
22.
Krishna P. Singh Lokesh Baweja Olaf Wolkenhauer Qamar Rahman Shailendra K. Gupta 《Journal of computer-aided molecular design》2018,32(3):487-496
Graphene-based nanomaterials (GBNMs) are widely used in various industrial and biomedical applications. GBNMs of different compositions, size and shapes are being introduced without thorough toxicity evaluation due to the unavailability of regulatory guidelines. Computational toxicity prediction methods are used by regulatory bodies to quickly assess health hazards caused by newer materials. Due to increasing demand of GBNMs in various size and functional groups in industrial and consumer based applications, rapid and reliable computational toxicity assessment methods are urgently needed. In the present work, we investigate the impact of graphene and graphene oxide nanomaterials on the structural conformations of small hepcidin peptide and compare the materials for their structural and conformational changes. Our molecular dynamics simulation studies revealed conformational changes in hepcidin due to its interaction with GBMNs, which results in a loss of its functional properties. Our results indicate that hepcidin peptide undergo severe structural deformations when superimposed on the graphene sheet in comparison to graphene oxide sheet. These observations suggest that graphene is more toxic than a graphene oxide nanosheet of similar area. Overall, this study indicates that computational methods based on structural deformation, using molecular dynamics (MD) simulations, can be used for the early evaluation of toxicity potential of novel nanomaterials. 相似文献
23.
Rotthaus O Thomas F Jarjayes O Philouze C Saint-Aman E Pierre JL 《Chemistry (Weinheim an der Bergstrasse, Germany)》2006,12(26):6953-6962
The two tetradentate ligands H(2)L and H(2)L(Me) afford the slightly distorted square-planar low-spin Ni(II) complexes 1 and 2, which comprise two coordinated phenolate groups. Complex 1 has been electrochemically oxidized into 1(+), which contains a coordinated phenoxyl radical, with a contribution from the nickel orbital. In the presence of pyridine, 1(+) is converted into 1(Py) (+), an octahedral phenolate nickel(III) complex with two pyridines axially coordinated: An intramolecular electron transfer (valence tautomerism) is promoted by the geometrical changes, from square planar to octahedral, around the metal center. The tetradentate ligand H(2)L(Me), in the presence of pyridine, and the hexadentate ligand H(2)L(Py) in CH(2)Cl(2) afford, respectively, the octahedral high-spin Ni(II) complexes 2(Py) and 3, which involve two equatorial phenolates and two axially coordinated pyridines. At 100 K, the one-electron-oxidized product 2(Py) (+) comprises a phenoxyl radical ferromagnetically coupled to the high-spin Ni(II) ion, with large zero-field splitting parameters, while 3(+) involves a phenoxyl radical antiferromagnetically coupled to the high-spin Ni(II) ion. 相似文献
24.
Christos Apostolidis Dr. Bernd Schimmelpfennig Dr. Nicola Magnani Dr. Patric Lindqvist‐Reis Dr. Olaf Walter Dr. Richard Sykora Dr. Alfred Morgenstern Dr. Eric Colineau Dr. Roberto Caciuffo Prof. Dr. Reinhardt Klenze Dr. Richard G. Haire Dr. Jean Rebizant Dr. Frank Bruchertseifer Dr. Thomas Fanghänel Prof. Dr. 《Angewandte Chemie (International ed. in English)》2010,49(36):6229-6229
25.
Olaf Kunert Ernst Haslinger Martin G. Schmid Josef Reiner Franz Bucar Efrem Mulatu Dawit Abebe Asfaw Debella 《Monatshefte für Chemie / Chemical Monthly》2000,131(2):195-204
Summary. Three bisdesmosidic saponins, 20-hydroxyecdysone, and quercetin-3-O-β-D-galactoside were isolated from the methanol extract of the aerial parts of Achyranthes aspera L. (Amaranthaceae). Their structures were established on the basis of NMR spectroscopic analysis; the complete 1H and 13C assignments of the compounds were achieved by means of 2D NMR studies.
Received July 21, 1999. Accepted August 26, 1999 相似文献
26.
Olaf Heitzsch Karsten Gloe Alfréd Sabela Jiří Koryta Edwin Weber 《Journal of inclusion phenomena and macrocyclic chemistry》1992,13(4):311-319
The complex forming properties with alkali metal and ammonium ions of a series of oligo benzo-condensed 18-crown-6 ethers1–8 having a different gradation of lipophilicity and of molecular rigidity are investigated by voltammetry at the interface of two immiscible electrolyte solutions (ITIES) and by a liquid-liquid extraction technique. The experimental results obtained in the two phase system H2O/nitrobenzene are discussed in relation to the structure of the crown and the cation type. The stability constants for the 1 : 1 complexes of Na+, K+, Rb+, Cs+ and NH
4
+
in nitrobenzene have been determined and compared with the extraction constants for the 1: 1 complexes of Na+ and K+ and for the 1 : 1 and 1 : 2 complexes of Cs+, showing the effect of oligo benzo condensation for the 18-crown-6 system. 相似文献
27.
28.
Kristina O. Kvashnina Anna Yu. Romanchuk Ivan Pidchenko Lucia Amidani Evgeny Gerber Alexander Trigub Andre Rossberg Stephan Weiss Karin Popa Olaf Walter Roberto Caciuffo Andreas C. Scheinost Sergei M. Butorin Stepan N. Kalmykov 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(49):18044-18044
29.
30.
The first total synthesis of (-)-aurafuron A is presented. It features a Suzuki cross-coupling reaction and a high yielding anionic aldol addition as central carbon skeleton building reactions. The synthesis confirms the proposed structure including its configuration and allows for detailed SAR studies. 相似文献