全文获取类型
收费全文 | 265篇 |
免费 | 17篇 |
国内免费 | 15篇 |
专业分类
化学 | 119篇 |
晶体学 | 3篇 |
力学 | 10篇 |
综合类 | 9篇 |
数学 | 20篇 |
物理学 | 136篇 |
出版年
2023年 | 2篇 |
2022年 | 4篇 |
2021年 | 7篇 |
2020年 | 11篇 |
2019年 | 11篇 |
2018年 | 10篇 |
2017年 | 12篇 |
2016年 | 16篇 |
2015年 | 8篇 |
2014年 | 15篇 |
2013年 | 21篇 |
2012年 | 25篇 |
2011年 | 28篇 |
2010年 | 23篇 |
2009年 | 12篇 |
2008年 | 12篇 |
2007年 | 10篇 |
2006年 | 10篇 |
2005年 | 7篇 |
2004年 | 6篇 |
2003年 | 9篇 |
2002年 | 6篇 |
2001年 | 1篇 |
2000年 | 2篇 |
1999年 | 5篇 |
1998年 | 5篇 |
1997年 | 1篇 |
1996年 | 2篇 |
1995年 | 6篇 |
1994年 | 5篇 |
1993年 | 2篇 |
1991年 | 2篇 |
1986年 | 1篇 |
排序方式: 共有297条查询结果,搜索用时 453 毫秒
1.
2.
Huajun Wang 《Journal of computational chemistry》1991,12(6):746-750
An algorithm for solving the protein docking problem is presented. Many tentative dockings are first generated by requiring a hole on the surface of one protein to match a knob on the surface of the other. All the tentative dockings are then applied. The initial configurations thus generated are further optimized. The optimization is facilitated by giving a discrete representation to the protein interior and a double-layer discrete representation to the protein surface. The algorithm presented correctly predicts the association of trypsin with its inhibitor as well as that of the α and β subunits in hemoglobin. 相似文献
3.
4.
偏最小二乘光度法同时测定铜和铁的研究及应用 总被引:8,自引:0,他引:8
7-(1-苯偶氮)-8-羟基喹啉-5-磺酸钠在PH=4.75HAc-NaAc缓冲溶液中能与Cu(Ⅱ)和FE(Ⅲ)形成稳定的络合物,本文研究了Cu(Ⅱ)-PAHQS、Fe(Ⅲ)-PAHQS体系的显色条件,以偏最小二乘法处理两者重叠吸收峰,建立了光度法同时测定铜和铁的方法。 相似文献
5.
Zhang Z Wang J Yuan H Gao Y Liu D Song L Xiang Y Zhao X Liu L Luo S Dou X Mou S Zhou W Xie S 《The journal of physical chemistry. B》2005,109(39):18352-18355
At a low temperature of 450 degrees C, ZnS nanoribbons have been synthesized on Si and KCl substrates by a simple chemical vapor deposition (CVD) method with a two-temperature-zone furnace. Zinc and sulfur powders are used as sources in the different temperature zones. X-ray diffraction (XRD), selected area electron diffraction (SEAD), and transmission electron microscopy (TEM) analysis show that the ZnS nanoribbons are the wurtzite structure, and there are two types-single-crystal and bicrystal nanoribbons. Photoluminescence (PL) spectrum shows that the spectrum mainly includes two parts: a purple emission band centering at about 390 nm and a blue emission band centering at about 445 nm with a weak green shoulder around 510 nm. 相似文献
6.
Zhang H Garland M Zeng Y Wu P 《Journal of the American Society for Mass Spectrometry》2003,14(11):1295-1305
A method is proposed, on the basis of a recently developed algorithm--Band Target Entropy Minimization (BTEM)--to reconstruct mass spectra of pure components from mixture spectra. This method is particular useful in dealing with spectral data with discrete features (like mass spectra). Compared to the original BTEM, which has been applied to differentiable spectroscopies such as Fourier-transfer infrared spectroscopy (FTIR), ultraviolet (UV), Raman, and nuclear magnetic resonance (NMR), the latest modifications were obtained through: (1) Reformulating the objective function using the peak heights instead of their derivatives; (2) weighting the abstract vector VT to reduce the effect of noise; (3) using a two-peak targeting strategy (tBTEM) to deal with strongly overlapping peaks; and (4) using exhaustive search to locate all the component spectra. A set of 50 multi-component mass spectra was generated from ten reference experimental pure component spectra. Many of the compounds chosen have common MS fragments and therefore, many of the pure component spectra have considerable intensity in same data channels. In addition, a set of MS spectra from a real system with four components was used to examine the newly developed algorithm. Successful reconstruction of the ten component spectra of the simulated system and the four component spectra of the real system was rapidly achieved using the new tBTEM algorithm. The advantages of the new algorithm and its implication for rapid system identification of unknown mixtures are readily apparent. 相似文献
7.
8.
Yan Guochun Li Xinhai Wang Zhixing Guo Huajun Peng Wenjie Hu Qiyang 《Journal of Solid State Electrochemistry》2016,20(2):507-516
Journal of Solid State Electrochemistry - Lithium bis(fluorosulfony)imide (LiFSI) is a promising alternative lithium salt to replace lithium hexafluorophosphate (LiPF6) due to its high conductivity... 相似文献
9.
This paper presents an efficient procedure for overcoming the deficiency of weighted essentially non‐oscillatory schemes near discontinuities. Through a thorough incorporation of smoothness indicators into the weights definition, up to ninth‐order accurate multistep methods are devised, providing weighted essentially non‐oscillatory schemes with enhanced order of convergence at transition points from smooth regions to a discontinuity, while maintaining stability and the essentially non‐oscillatory behavior. We also provide a detailed analysis of the resolution power and show that the solution enhancements of the new method at smooth regions come from their ability to render smoothness indicators closer to uniformity. The new scheme exhibits similar fidelity as other multistep schemes; however, with superior characteristics in terms of robustness and efficiency, as no logical statements or mapping function is needed. Extensions to higher orders of accuracy present no extra complexity. Numerical solutions of linear advection problems and nonlinear hyperbolic conservation laws are used to demonstrate the scheme's improved behavior for shock‐capturing problems. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
10.
LC‐MS/MS determination of 1‐O‐acetylbritannilactone in rat plasma and its application to a preclinical pharmacokinetic study 下载免费PDF全文
A novel, rapid and sensitive LC‐MS/MS method for the determination of 1‐O‐Acetylbritannilactone (ABL), a sesquiterpene lactone abundant in Inula britannica, was developed and validated using heteroclitin D as internal standard. Separation was achieved on a reversed phase Hypersil Gold C18 column (50 × 4.6 mm, i.d., 3.0 µm) using isocratic elution with methanol–5 mM ammonium acetate buffer aqueous solution (80:20, v/v) at a flow rate of 0.4 mL/min. Calibration curve was linear (r > 0.99) in a concentration range of 1.60–800 ng/mL with the lower limit of quantification of 1.60 ng/mL. Intra‐ and inter‐day accuracy and precision were validated by relative error (RE) and relative standard deviation (RSD) values, respectively, which were both less than ±15%. The validated method has been successfully applied to a pharmacokinetic study of ABL in rats. The elimination half‐lives were 0.412 ± 0.068, 0.415 ± 0.092 and 0.453 ± 0.071 h after a single intravenous administration of 0.14, 0.42, and 1.26 mg/kg ABL, respectively. The area under the plasma concentration–time curve from time zero to the last quantifiable time point and from time zero to infinity and the plasma concentrations at 2 min were linearly related to the doses tested. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献