全文获取类型
收费全文 | 173篇 |
免费 | 10篇 |
国内免费 | 9篇 |
专业分类
化学 | 83篇 |
力学 | 8篇 |
综合类 | 3篇 |
数学 | 43篇 |
物理学 | 55篇 |
出版年
2023年 | 1篇 |
2020年 | 1篇 |
2019年 | 1篇 |
2018年 | 2篇 |
2017年 | 1篇 |
2016年 | 1篇 |
2015年 | 2篇 |
2014年 | 7篇 |
2013年 | 34篇 |
2012年 | 3篇 |
2011年 | 9篇 |
2010年 | 1篇 |
2008年 | 4篇 |
2007年 | 6篇 |
2006年 | 5篇 |
2005年 | 6篇 |
2004年 | 9篇 |
2003年 | 3篇 |
2002年 | 8篇 |
2001年 | 9篇 |
2000年 | 4篇 |
1999年 | 2篇 |
1998年 | 2篇 |
1997年 | 11篇 |
1996年 | 5篇 |
1995年 | 3篇 |
1994年 | 5篇 |
1993年 | 6篇 |
1992年 | 5篇 |
1991年 | 6篇 |
1990年 | 2篇 |
1989年 | 3篇 |
1988年 | 2篇 |
1987年 | 2篇 |
1984年 | 2篇 |
1983年 | 2篇 |
1982年 | 1篇 |
1981年 | 3篇 |
1980年 | 1篇 |
1978年 | 1篇 |
1977年 | 1篇 |
1976年 | 1篇 |
1975年 | 2篇 |
1971年 | 2篇 |
1969年 | 1篇 |
1968年 | 1篇 |
1958年 | 1篇 |
1955年 | 1篇 |
1948年 | 1篇 |
排序方式: 共有192条查询结果,搜索用时 140 毫秒
91.
用相对论有效原子实势 (RECP)和密度泛函 (B3LYP SDD)方法研究了UH ,UH2 基态和低激发态的结构和势能函数 ,导出了分子的光谱数据 .结果表明 ,UH和UH2 的基电子状态分别为X4 Π和X3A2 ,离解能分别为 2 .886eV和5 .2 4 9eV ,UH2 具有C2v对称性 ,得到了UH和UH2 的几个不同的低激发态的结构与光谱数据 .应用多体项展式理论以及数字拟合方法 ,计算得到了UH分子和基态UH2 三原子分子的分析势能函数 ,该函数正确反映了UH和UH2分子的结构特征 ,可用于研究UHH的微观反应动力学 . 相似文献
92.
93.
JUAN E. PERALTA VERÓNICA BARONE MARTÍN C. RUIZ DE AZÚA RUBÉN H. CONTRERAS 《Molecular physics》2013,111(8):655-661
In this work an implementation of the FPT-DFT approach for calculating the spin-dipolar contribution to NMR spin-spin coupling constants is presented. This method was tested in a set of small molecules, giving results in excellent agreement when comparing them with values taken from the literature, which were obtained with state-of-the-art calculations. To obtain an insight into the relative importance of the spin-dipolar contribution in unsaturated compounds, calculations of J(F,C), J(F,F) and J(F,H) couplings in 1,2-, 1,3-, and 1,4-difluorobenzenes were performed. An important spin-dipolar contribution to 3 J(F, F) and 5 J(F,F) was found, suggesting that this term might be important in some cases. When performing DFT calculations the non-singlet instabilities usually found in unsaturated compounds are overcome. 相似文献
94.
Better substrates for bacterial transglycosylases. 总被引:2,自引:0,他引:2
95.
EDUARDO DE RAFAEL 《Pramana》2012,78(6):927-946
In the large-N c limit of QCD, two-point functions of local operators become harmonic sums. I review some properties which follow from this fact and which are relevant for phenomenological applications. This has led us to consider a class of analytic number theory functions as toy models of large-N c QCD which also is discussed. 相似文献
96.
The most potent inhibitor of the p53-MDM2 interaction reported to date is an 8-mer p53 peptide analogue (Novartis peptide), which contains 6-chlorotryptophane (Cl-Trp) and phosphonomethylphenylalanine (Pmp) as key residues for the enhanced activity. We report here a crystal structure of the co-complex between MDM2 and the Novartis peptide solved at 1.8 A resolution. The structural basis for the role of the two aromatic residues are delineated by comparing the present structure with crystal structures of the MDM2 co-complex bound to other inhibitors including the wt-p53 peptide itself. 相似文献
97.
Deon DE Wet‐Roos Aletta DU Toit Dawie J. Joubert 《Journal of polymer science. Part A, Polymer chemistry》2006,44(23):6847-6856
Homogeneous tandem catalysis of the bis(diphenylphoshino)amine‐chromium oligomerization catalyst with the metallocenes Ph2C(Cp)(9‐Flu)ZrCl2 and rac‐EtIn2ZrCl2, is discussed. GC, CRYSTAF, and 13C NMR analysis of the products obtained from reactions at constant temperatures show that during tandem catalysis, α‐olefins, mainly 1‐hexene and 1‐octene, are produced from ethylene by the oligomerization catalyst and subsequently built into the polyethylene chain. At 40 °C the Cr/PNP catalyst acts as a tetramerization catalyst while the polymerization catalyst activity is low. Copolymerization of ethylene and the in situ produced α‐olefins have also been carried out by increasing the temperature from 40 °C, where primarily oligomerization takes place, to above 100 °C, where polymerization becomes dominant. The melting temperature of the polymer is dependent on the catalyst and cocatalyst ratios as well as on the temperature gradient followed during the reaction, while the presence of the oligomerization catalyst reduces the activity of the polymerization catalyst. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 6847–6856, 2006 相似文献
98.
Optimality of embeddings of logarithmic Bessel potential spaces 总被引:2,自引:0,他引:2
99.
100.