全文获取类型
收费全文 | 4442篇 |
免费 | 702篇 |
国内免费 | 901篇 |
专业分类
化学 | 4333篇 |
晶体学 | 54篇 |
力学 | 76篇 |
综合类 | 24篇 |
数学 | 42篇 |
物理学 | 1516篇 |
出版年
2024年 | 9篇 |
2023年 | 54篇 |
2022年 | 94篇 |
2021年 | 102篇 |
2020年 | 185篇 |
2019年 | 142篇 |
2018年 | 105篇 |
2017年 | 118篇 |
2016年 | 203篇 |
2015年 | 178篇 |
2014年 | 215篇 |
2013年 | 447篇 |
2012年 | 308篇 |
2011年 | 272篇 |
2010年 | 221篇 |
2009年 | 242篇 |
2008年 | 275篇 |
2007年 | 339篇 |
2006年 | 292篇 |
2005年 | 212篇 |
2004年 | 229篇 |
2003年 | 280篇 |
2002年 | 212篇 |
2001年 | 241篇 |
2000年 | 177篇 |
1999年 | 138篇 |
1998年 | 117篇 |
1997年 | 129篇 |
1996年 | 90篇 |
1995年 | 92篇 |
1994年 | 73篇 |
1993年 | 48篇 |
1992年 | 43篇 |
1991年 | 33篇 |
1990年 | 30篇 |
1989年 | 20篇 |
1988年 | 16篇 |
1987年 | 10篇 |
1986年 | 7篇 |
1985年 | 6篇 |
1984年 | 10篇 |
1983年 | 2篇 |
1982年 | 2篇 |
1981年 | 3篇 |
1980年 | 3篇 |
1979年 | 3篇 |
1978年 | 7篇 |
1977年 | 2篇 |
1973年 | 3篇 |
1972年 | 2篇 |
排序方式: 共有6045条查询结果,搜索用时 15 毫秒
101.
A. Kasgöz K. Yoshimura T. Misono Y. Abe 《Journal of Sol-Gel Science and Technology》1994,1(2):185-191
The preparation of SiO2-TiO2 thin films by the sol-gel method using silicic acid and titanium tetrachloride as starting materials was studied. The homogeneous sols were obtained by the condensation reaction of silicic acid with titanium tetrachloride in methanol-tetrahydrofuran. The dipcoating of slide glasses and silicon wafers followed by heat treatment gave oxide thin films of 88–93% transmittance, 3000–4500 Å thickness, and 1.45–1.80 refractive index, depending on heat-treatment temperature and TiO2 content. FT-IR measurement showed that the Si-O-Ti bond is formed even in the sol and films. The variations of film thickness and refractive index on transformation from the gels into the oxides were found to be quite low. 相似文献
102.
The formation and properties of the products of the radiation-induced chemical reduction of silver ions in aqueous solutions containing sodium polyacrylate were investigated. The absorption spectra of these species exhibit a band at 290 mn and a band in the visible region. The latter shifts from 470 nm to -800 nm with time or after the addition of silver ions. The species obtained (clusterites) arc linear silver clusters bound to the carboxyl groups of the ion exchanger. The red shift of the visible band is due to the increase in their size. The mechanism of the formation and the structure of the clusterites are discussed.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1429–1435, June, 1996. 相似文献
103.
P. Cabral do Couto R. C. Guedes B. J. Costa Cabral J. A. Martinho Simes 《International journal of quantum chemistry》2002,86(3):297-304
We are reporting ab initio and density functional theory (DFT) calculations for the phenol O–H bond dissociation energy in the gas phase and in phenol–water clusters. We have tested a series of recently proposed functionals and verified that DFT systematically underestimates the O–H bond dissociation energy of phenol. However, O–H bond dissociation energies in water clusters are in reasonable agreement with experimental data for phenol in solution. We have evaluated electronic difference densities in phenol–water, phenoxy–water, and water, and we are suggesting that the representation of this quantity gives an interesting picture of the electronic density rearrangement induced by hydrogen bond interactions in phenol–water clusters. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001 相似文献
104.
B2O3/TiO2-ZrO2催化环己酮肟气相Beckmann重排反应研究 Ⅰ.B2O3含量的影响 总被引:5,自引:2,他引:5
制备了不同B2O3含量(0~20%)的B2O3/TiO2-ZrO2固体酸催\r\n化剂,用XRD,FT-IR,N2吸附及NH3-TPD等方法测定了其结构、比表\r\n面积、孔分布和表面酸性.结果表明,当B2O3含量较低(≤5%)时,\r\n催化剂呈无定形态,样品中的B2O3主要以BO4结构存在.当B2O3含量较\r\n高(≥8%)时,催化剂中的TiO2-ZrO2以ZrTiO4晶相存在,分散于Ti\r\nO2-ZrO2表面的B2O3主要以玻璃体形式和BO3结构存在.随着B2O3含量\r\n的增加,催化剂的比表面积减小,孔径增大.300℃下的环己酮肟气相\r\nBeck-mann重排反应结果表明,随着B2O3含量的增加,己内酰胺的选择\r\n性逐渐增大,而己内酰胺的收率在B2O3含量为12%时达到最大值.讨论\r\n了B2O3/TiO2-ZrO2的催化性能与其表面酸性及孔径大小的关系. 相似文献
105.
Ansgar Schäfer Christian Huber Jürgen Gauss Reinhart Ahlrichs 《Theoretical chemistry accounts》1993,87(1-2):29-40
Summary Experimentally known copper selenium clusters show extraordinary geometrical features, especially short Cu-Cu distances. We report the first theoretical investigation of Cu2Se and Cu4Se2. Various quantum chemical methods (SCF, MP2, CPF, CCSD, CCSD(T), LDF) are applied to determine the importance of dynamic electron correlation. We find that inclusion of correlation does not essentially change the electronic structure of the clusters but has a strong influence on geometries. To reduce the computational effort we apply effective core potentials (ECPs) in combination with small, but carefully optimized basis sets. The applicability of simple modellings of correlation energies for approximate inclusion of correlation effects in SCF geometry optimizations is tested. 相似文献
106.
The importance of palladium complexes in catalytic processes is well-demonstrated by its applications in hydrogenation processes in industry. Mixed metal clusters of palladium are of interest as the palladium ion can attain either a 16- or 18-electron configuration which is an important feature for catalytic processes. Recent developments in the preparation, characterization, chemical and physical properties of these clusters are discussed in this review. 相似文献
107.
Feng Wang Nick Andriopoulos Neil Wright Ellak I. von Nagy-Felsobuki 《Journal of Cluster Science》1991,2(3):203-217
Ab initio molecular orbital calculations using the STO-6G and STO6-21G basis sets have been performed for the cluster series Li
n
+
, Li
n
, and Li
n
–
(wheren=2–7). Thirty-two optimized structures are discussed and reported, many of which (especially for the anionic structures) have not yet been considered. The calculations suggest that for all three species the optimum geometries are planar. Of the two levels of theories that were investigated, STO-6G//STO-6G and STO6-21G//STO-6G, the latter hybrid theory was found to be less reliable. In particular, for the anionic structures these calculations should provide a platform from which more sophisticated, i.e., configuration interaction, geometry optimization can be performed. 相似文献
108.
Olivia Vidoni Stefan Neumeier Nathalie Bardou Jean-Luc Pelouard Günter Schmid 《Journal of Cluster Science》2003,14(3):325-336
The elaboration of closed-packed monolayers of Au55(PPh3)12Cl6 clusters on oxidized and non-oxidized GaAs surfaces is reported. The first part of this work describes the use of silanethiol modified GaAs oxide surfaces to trap 18 nm gold colloids and Au55(PPh3)12Cl6 clusters. The surfaces characterized by AFM measurements present high-quality coverage on a quite long range for both metallic species. The second part is devoted to the elaboration of Au55(PPh3)12Cl6 cluster monolayers on non-oxidized p-type GaAs substrates, functionalized with dithiol molecules. AFM measurements demonstrate the presence of closed-packed two-dimensional arrangements of Au55 clusters. 相似文献
109.
FANG Fang ZHU Yu ZHAO Qian JIANG Gang WANG Hong-Yan 《结构化学》2007,26(9):1092-1096
Geometric and electronic properties of Pdn–1Pb and Pdn (n≤8) clusters have been studied by using density functional theory with effective core potentials, focusing on the differences between mono- and bimetallic clusters. The average bond length of Pdn–1Pb (n≤8) bimetallic clusters is longer than that of pure palladium clusters except for n = 2 and 3. The most stable structure of Pdn–1Pb (n≤7) is the singlet where there is at least a Pd or Pb atom on its excited state. The energy gaps of Pd–Pb binary clusters are narrower than those of Pdn clusters, and then the chemical activity is strengthened when Pdn clusters are doped with Pb. 相似文献
110.
Mariappan PeriasamyN. KishoreBabu Keela Natarajan Jayakumar 《Tetrahedron letters》2003,44(50):8939-8941
The reactions of arylacetic acid esters with tertiary arylamines in the presence of TiCl4 give α-arylated products in 65-90% yields, as well as 10-20% yields of the corresponding benzidines. 相似文献