全文获取类型
收费全文 | 2134篇 |
免费 | 333篇 |
国内免费 | 153篇 |
专业分类
化学 | 736篇 |
晶体学 | 31篇 |
力学 | 554篇 |
综合类 | 43篇 |
数学 | 344篇 |
物理学 | 912篇 |
出版年
2024年 | 4篇 |
2023年 | 24篇 |
2022年 | 42篇 |
2021年 | 43篇 |
2020年 | 63篇 |
2019年 | 52篇 |
2018年 | 79篇 |
2017年 | 111篇 |
2016年 | 102篇 |
2015年 | 84篇 |
2014年 | 122篇 |
2013年 | 172篇 |
2012年 | 116篇 |
2011年 | 136篇 |
2010年 | 131篇 |
2009年 | 114篇 |
2008年 | 124篇 |
2007年 | 133篇 |
2006年 | 140篇 |
2005年 | 103篇 |
2004年 | 89篇 |
2003年 | 85篇 |
2002年 | 76篇 |
2001年 | 72篇 |
2000年 | 51篇 |
1999年 | 71篇 |
1998年 | 47篇 |
1997年 | 32篇 |
1996年 | 24篇 |
1995年 | 27篇 |
1994年 | 25篇 |
1993年 | 18篇 |
1992年 | 24篇 |
1991年 | 16篇 |
1990年 | 7篇 |
1989年 | 6篇 |
1988年 | 11篇 |
1987年 | 2篇 |
1986年 | 6篇 |
1985年 | 8篇 |
1984年 | 4篇 |
1983年 | 2篇 |
1982年 | 4篇 |
1981年 | 4篇 |
1980年 | 4篇 |
1979年 | 3篇 |
1973年 | 1篇 |
1971年 | 1篇 |
1967年 | 1篇 |
1959年 | 1篇 |
排序方式: 共有2620条查询结果,搜索用时 15 毫秒
41.
载铂铝交联蒙脱土的烷烃芳构化特性──Ⅰ.载铂铝交联蒙脱土对烷烃的择形芳构化作用 总被引:1,自引:0,他引:1
对比考察了Pt/KL沸石,Pt/Al2O3和载铂铝交联蒙脱土(Pt/Al-CLM)催化剂对不同碳原子数烷烃的芳构化特性.脉冲微反的评价结果表明:Pt/Al-CLM比Pt/Al2O3和Pt/KL具有较高的转化n-C8,n-C9为其对应芳烃的选择性,在转化n-C8时,产物中的间、对位二甲苯收率很高,而转化n-C9时有高的正丙苯收率.采用129Xe-NMR、XRD和孔分布测定考察了Pt/Al-CLM和Pt/KL、Pt/Al2O3之间孔结构的差异.结果表明:由于n-C8,n-C9在反应过程中其过渡态的极限尺寸与Pt/Al-CLM0.9nm左右的层间域相匹配,因而它对n-C8,n-C9具有择形芳构化作用. 相似文献
42.
José Glaüco Ribeiro Tostes 《Theoretical chemistry accounts》1981,59(3):229-235
Certain features of the chemist's molecular structure model, viz. size and shape, are retrieved even in the best non-adiabatic variational calculations thus far carried out for ground states of H
2
+
and H2. Those features do not conflict with the full symmetry of exact molecular eigenstates, once they are properly understood as correlation effects. 相似文献
43.
44.
Makoto?OhtsukaEmail author Christina?Wedel Kimio?Itagaki 《Monatshefte für Chemie / Chemical Monthly》2005,136(11):1909-1914
Summary. Isothermal sections of the Ni–Mn–Ga ternary phase diagram at 1073 and 1273 K were investigated over a wide range of alloy
compositions. The range of the β-Ni2MnGa phase, its equilibria with the γ-(Mn, Ni), α′-Ni3Ga, and γ-Ni3Ga2 phases, and the liquidus and solidus lines were determined experimentally. The aging effect on the shape memory effect (SME)
of Ni2MnGa sputtered films was also investigated. The two-way SME of the constraint-aged films was confirmed by the temperature
change. 相似文献
45.
46.
K. Babu V. Ganesh Shridhar R. Gadre Nour E. Ghermani 《Theoretical chemistry accounts》2004,111(2-6):255-263
Experimental and theoretical studies of electron densities and the corresponding derived entities such as electrostatic potentials have been the primary means of understanding the chemical nature and electronic properties of crystalline substances. Conventional crystal calculation methods such as the embedded cluster models are capable of performing calculations on small and medium-sized molecules, while periodic ab initio methods can treat crystals with up to 200 atoms per unit cell. A linear scaling method, viz. the molecular tailoring approach, has recently been developed for obtaining ab initio quality one-electron properties. In the present study, the molecular tailoring approach is employed to generate electron density, electrostatic potential and interaction density maps with the ibuprofen crystal as a test case. The interaction density and electrostatic potential maps produced in the present work succinctly bring out the actual crystalline environment around a given reference molecule by including the interactions with atoms in its neighborhood. The results obtained from the molecular tailoring approach may thus be expected to enhance our understanding of the environment in the crystalline material with reasonably small computational effort.Contribution to the Jacopo Tomasi Honorary Issue 相似文献
47.
《Electroanalysis》2006,18(18):1749-1756
Densely packed micro‐ and submicrometer electrode arrays of platinum and gold (the nominal number, N, of electrodes in each array varies between 225 and 3600) are fabricated by photolithographic technique and vapor deposition processes of metal films. The electrodes are conical‐shaped and only their apexes are exposed to the electrolytic solution. The electrode arrays are characterized electrochemically in Ru(NH3)6Cl3 aqueous solutions by using cyclic voltammetry at low scan rates, to establish the number of electrochemically active electrodes (Nac) in each array; the geometric characterization is performed by scanning electron microscopy. All the investigated arrays provide steady‐state voltammograms, indicating diffusionally independent behavior of each microelectrode. The number of microelectrodes that are active in the fabricated arrays depends on microelectrode density. In particular, for the arrays with N=3600 and N=225, the fraction of active sites is about 45% and 90%, respectively. The analytical performance of some of the Pt version of the arrays is tested in hydrogen peroxide solutions, allowing verifying that linear calibration plots over the concentration range (0.1–20 mM) are obtained. This dynamic range is larger than that typically recorded at smooth polycrystalline platinum electrodes (0.5–5 mM), and the better performance is attributed to both the higher aspect ratio of the cone geometry and the higher mass transport associated to each microelectrode of the array. Reproducibility (within 3.5%, r.s.d.) and long‐term stability (within 5%, r.s.d., after 8 h continuous use) of the electrode systems are satisfactory. A low detection limit, based on the signal to noise ratio equal to 3, of 0.05 mM is found, which is adequate for a rapid monitoring of H2O2 in real samples and industrial processes. 相似文献
48.
Fused-sphere surfaces can be used to mimic a molecular boundary associated with a constant value of the electron density. The simplest of such fused-sphere models are constructed by using the atomic radii for the spherical isodensity surfaces of individual atoms. In this work, we discuss the extension of this model to molecules containing atoms beyond the second row. In these many- electron systems, the computation of electron densities is usually simplified by adopting a pseudopotential (or effective-core potential) approach. Here, we discuss the performance of large- and small-core pseudo-potential calculations as a tool to derive atomic radii. Our results provide an optimum set of variable radii that can be used to build fused-sphere surfaces. This continuum of surfaces provides a simple approximation to the low-electron-density regions around molecules with heavy atoms. 相似文献
49.
ZnO微晶的水热合成及形貌控制研究 总被引:4,自引:1,他引:4
以Zn(NH3)4(Ac)2为前驱体,不加任何模板剂和表面活性剂,低温下通过改变反应条件(如前驱体浓度、反应时间及反应温度),实现了对ZnO微晶形貌和尺度的有效控制.所得花状、蜂窝状、柱状ZnO用X射线衍射仪和扫描电镜进行了鉴定和表征,并初步探讨了不同形貌ZnO微晶的生长机理. 相似文献
50.
Summary The molecular-shape recognition of polycyclic aromatic hydrocarbons has been studied on various stationary phases in reversed-phase high-performance liquid chromatography. The examined stationary phases were phenyl-, diphenyl-, triphenyl- and benzyl-bonded silicas. The results of regression analysis inidcated that triphenylsilica is the best packing material to recognize the difference in the molecular-shape of structural isomers. This fact was confirmed by the separation of 4-ring isomers. 相似文献