全文获取类型
收费全文 | 9450篇 |
免费 | 1252篇 |
国内免费 | 999篇 |
专业分类
化学 | 8486篇 |
晶体学 | 306篇 |
力学 | 211篇 |
综合类 | 68篇 |
数学 | 111篇 |
物理学 | 2519篇 |
出版年
2024年 | 15篇 |
2023年 | 110篇 |
2022年 | 328篇 |
2021年 | 365篇 |
2020年 | 480篇 |
2019年 | 383篇 |
2018年 | 338篇 |
2017年 | 310篇 |
2016年 | 502篇 |
2015年 | 432篇 |
2014年 | 409篇 |
2013年 | 803篇 |
2012年 | 450篇 |
2011年 | 519篇 |
2010年 | 428篇 |
2009年 | 444篇 |
2008年 | 461篇 |
2007年 | 574篇 |
2006年 | 565篇 |
2005年 | 474篇 |
2004年 | 447篇 |
2003年 | 362篇 |
2002年 | 300篇 |
2001年 | 235篇 |
2000年 | 240篇 |
1999年 | 211篇 |
1998年 | 168篇 |
1997年 | 185篇 |
1996年 | 164篇 |
1995年 | 130篇 |
1994年 | 116篇 |
1993年 | 96篇 |
1992年 | 108篇 |
1991年 | 59篇 |
1990年 | 68篇 |
1989年 | 56篇 |
1988年 | 48篇 |
1987年 | 53篇 |
1986年 | 49篇 |
1985年 | 43篇 |
1984年 | 28篇 |
1983年 | 18篇 |
1982年 | 24篇 |
1981年 | 24篇 |
1980年 | 25篇 |
1979年 | 22篇 |
1978年 | 8篇 |
1977年 | 7篇 |
1976年 | 6篇 |
1972年 | 5篇 |
排序方式: 共有10000条查询结果,搜索用时 31 毫秒
41.
Beate Bussemer Klaus-Peter Schrder Joachim Sauer 《Solid state nuclear magnetic resonance》1997,9(2-4)
A recent shell-model potential parameterized on ab initio data is used for predicting the all-silica structures of zeolites MFI, MEI, MTW, TON, FAU and of α-quartz. Cluster models are defined around each site and the 29Si NMR shielding constants are calculated by ab initio techniques (GIAO-HF). Good agreement with observed 29Si NMR chemical shifts is found. Comparison is made with shifts calculated for observed structures. The structures predicted by the ab initio shell-model potential prove as accurate as the observed ones when judged on the quality of the calculated 29Si NMR spectra. 相似文献
42.
Recently, we have developed a new tight-binding quantum chemical molecular dynamics program “Colors” for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO2(111) support. Significant electron transfer from the Pt particle to the CeO2(111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO2 surface is a main reason for the strong interaction of the Pt particle and CeO2(111) support. 相似文献
43.
Heat transfer in a resist-coated silicon wafer using a bake process is theoretically evaluated by modeling the three-dimensional diffusion process, focusing on the controllability of the lithographic performance of chemically amplified resists. Six models of various ambient conditions are used. The proximity gap between the hotplate and the wafer is found to have a dominant influence on the heat transfer process for the whole system. Because the atmosphere near the wafer acts as a thermal diffusion buffer layer, no temperature gradient occurs in the resist, even when it is subjected to convective heat transfer from the resist surface. Experimental results obtained by X-ray lithography confirm the calculation results. 相似文献
44.
45.
46.
c轴定向氮化铝薄膜的制备 总被引:3,自引:0,他引:3
利用电子回旋共振 (ECR)微波增强化学气相沉积法 (PECVD)并使用氮气 (N2 ) ,氩气 (Ar)和AlCl3蒸气作为气源在直径为 6 .35cm的 (10 0 )单晶硅片表面制备了c轴定向氮化铝 (AlN)薄膜 ,并使用X射线衍射仪及其X射线特征能谱和扫描电镜 (SEM)分析了薄膜特征 ,研究了微波功率、基板温度和N2 流量对薄膜c轴定向的影响 ,得到了c轴偏差角小于 5°的高质量大面积AlN薄膜。 相似文献
47.
Guido Momerency Karel Van Cauwenberghe Ernst A. De Bruijn Allan T. Van Oosterom Martin S. Highley Peter G. Harper 《Journal of separation science》1994,17(9):655-661
A method is described for the determination of the antitumor agent iphosphamide and seven of its metabolites in the plasma of cancer patients by multiple ion monitoring (MIM) GC-MS, mainly using the electron capture chemical ionization mode, of stable methyl and/or trifluoroacetyl derivatives. The metabolites determined were 2- and 3-dechloroethyliphosphamide, 4-ketoiphosphamide, carboxyiphosphamide, iphosphamide mustard, and two previously undetected metabolites, chloroethylamine and 1,3-oxazolidine-2-one. The isolation of the acidic and neutral metabolites was performed by solid phase extraction on to C18 adsorbent at pH 4. The weakly acidic iphosphamide mustard, isolated under these conditions with a yield of ca 50%, was measured as a stable methyltrifluoroacetyl derivative, in contrast to the corresponding phosphoramide mustard of the isomer cyclophosphamide which decomposes during derivatization. Chloroethylamine and 1,3-oxazolidine-2-one were isolated with high yield by liquid extraction with ethyl acetate at pH 10. Selective measurement of several metabolite derivatives with similar retention times was performed by multiple ion monitoring MS of specific ion masses, using a methyl phenyl siloxane capillary column previously employed in the study of cyclophosphamide metabolites. Quantitation of metabolites in patient plasma samples could be performed in the concentration range 3 ng to 20 μg per ml of original plasma. 相似文献
48.
ZhengBin Zhang Chunying Liu Peifeng Li Zhenzhen Wu Cai Lin Huawei Huang Lei Xing Liansheng Liu 《Frontiers of Chemistry in China》2006,1(1):86-97
Many food algae and red tide algae were cultivated in the f/2 medium, and the nitric oxide (NO) concentration of the medium
and the cell density were determined. The experiments on algae were conducted when different concentrations of NO were added
into the medium using two methods. The results show that low concentrations of NO were self-produced by marine algae during
the exponential growth period and were about nmol/L level. But at the end of the period, i.e., 2 or 3 days before the cell
density reaches the maximum, an NO peak appeared, with the NO concentration reaching 10 nmol/L. The NO threshold concentration
exists according to the influence of exogenous NO on the marine phytoplankton growth. One type is the threshold concentration
that can promote algae growth, and its value is between 10 and 1 nmol level, or even lower. The other type can inhibit the
phytoplankton growth, which is about μmol level or higher. The results indicate that red tide algae are far more sensitive
to NO than are food algae. The fundamental experimental outcome above may provide a new clue for red tide chemical forecast
by inspecting the NO change. 相似文献
49.
HCHO-(DL-苹果酸)-BrO-3-Mn2+-H2SO4体系化学振荡反应动力学研究 总被引:1,自引:0,他引:1
研究了HCHO参与下的(DL-苹果酸)-BrO-3-Mn2+-H2SO4化学振荡反应体系的非线性动力学行为,考察了该体系中各反应物的初始浓度范围及主要影响因素. 结果表明,在5.0×10-5~1.0×10-2 mol·L-1范围内, HCHO对振荡反应的诱导期和周期有较大影响,且HCHO浓度的对数lnc(HCHO)与诱导期倒数的对数ln(1/tin)及周期倒数的对数ln(1/tp)均存在线性关系. 诱导期和周期的表观活化参数分别为70.87,55.71 kJ·mol-1. 另外还对HCHO参与下的可能振荡反应机理进行了探讨. 相似文献
50.
Reduction of tetranuclear heterometallic complex Mo2Mg2 was simulated using the B3LYP and PBE density functional methods. The results of geometry calculations of the initial complex
[MoVIO2Mg(MeOH)2(OMe)4]2 and a partially reduced MoV complex are in good agreement with experimental data. The reduced MoIII complex is characterized by a decrease in the binding energy of aqua ligands. Structural rearrangement of the complex with
release of a coordination position at the Mo atoms requires small energy expenditure. One can assume that the reduction of
the polynuclear complex causes overcrowding of its coordination sphere, which favors formation of dinitrogen complexes.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 441–457, March, 2008. 相似文献