全文获取类型
收费全文 | 1030篇 |
免费 | 51篇 |
国内免费 | 2篇 |
专业分类
化学 | 745篇 |
晶体学 | 13篇 |
力学 | 13篇 |
数学 | 57篇 |
物理学 | 255篇 |
出版年
2024年 | 2篇 |
2023年 | 16篇 |
2022年 | 36篇 |
2021年 | 34篇 |
2020年 | 44篇 |
2019年 | 60篇 |
2018年 | 52篇 |
2017年 | 34篇 |
2016年 | 57篇 |
2015年 | 41篇 |
2014年 | 100篇 |
2013年 | 104篇 |
2012年 | 68篇 |
2011年 | 71篇 |
2010年 | 37篇 |
2009年 | 28篇 |
2008年 | 41篇 |
2007年 | 31篇 |
2006年 | 27篇 |
2005年 | 22篇 |
2004年 | 27篇 |
2003年 | 17篇 |
2002年 | 20篇 |
2001年 | 14篇 |
2000年 | 7篇 |
1999年 | 10篇 |
1998年 | 4篇 |
1997年 | 3篇 |
1996年 | 6篇 |
1995年 | 9篇 |
1994年 | 2篇 |
1993年 | 2篇 |
1992年 | 6篇 |
1991年 | 6篇 |
1990年 | 4篇 |
1989年 | 8篇 |
1987年 | 3篇 |
1986年 | 5篇 |
1985年 | 5篇 |
1984年 | 2篇 |
1983年 | 1篇 |
1982年 | 8篇 |
1980年 | 1篇 |
1979年 | 3篇 |
1978年 | 1篇 |
1977年 | 1篇 |
1976年 | 1篇 |
1974年 | 1篇 |
1939年 | 1篇 |
排序方式: 共有1083条查询结果,搜索用时 15 毫秒
21.
22.
23.
Structural Chemistry - The hydrogen-bonded complexes formed between proline and amides have been investigated completely by the use of computational methods such as Atoms In Molecules (AIM),... 相似文献
24.
25.
26.
27.
28.
The infectious disease burden imposed by trypanosomatidae family continues to create burden in countries that are least equipped
to bring new medicines to the clinic. For sickness caused by this family of parasites (African trypanosomiasis, Chagas disease,
and leishmaniasis) no vaccines are available, and currently available drugs suffer from insufficient efficacy, excessive toxicity,
and steady loss of effectiveness due to resistance. Availability of the genome sequence of pathogens of this family offers
a unique avenue for the identification of novel common drug targets for all three pathogens. Sirtuin family of nicotinamide
adenine dinucleotide (NAD)-dependent deacetylases are remarkably conserved throughout evolution from archaebacteria to eukaryotes
and plays an important role in trypanosomatidae biology and virulence. In order to gain insight for selective drug design,
three-dimensional (3D) models of L. major, L. infantum, T. brucie, and T. cruzi sirtuin were constructed by homology modeling and compared with human sirtuin. The molecular electrostatic potentials and
cavity depth analysis of these models suggest that the inhibitor binding catalytic domain has various minor structural differences
in the active site of trypanosomal and human sirtuin, regardless of sequence similarity. These studies have implications for
designing effective strategies to identify inhibitors that can be developed as novel broad-spectrum antitrypanosomal drugs. 相似文献
29.
30.
In this article, the hydrogen bonding interaction between saturated five-membered heterocyclic molecules and water has been investigated. Molecular orbital and density functional theory methods have been used to evaluate the stabilization energies associated with the adduct formation between heterocyclic molecules and water. The hydrogen bond acceptor ability of O, S, Se, and N as members of five-membered ring has been analyzed. The effect of the presence of second heteroatom N in the ring on the hydrogen bond interaction has also been evaluated. Atoms in molecules theory calculations were carried out to characterize the hydrogen bond through the changes in electron density and Laplacian of electron density. A natural energy decomposition analysis and natural bond orbital analysis is also performed to understand the nature of hydrogen bonding interaction in monohydrated five-membered heterocyclic adducts. 相似文献