全文获取类型
收费全文 | 4121篇 |
免费 | 519篇 |
国内免费 | 445篇 |
专业分类
化学 | 1721篇 |
晶体学 | 37篇 |
力学 | 361篇 |
综合类 | 73篇 |
数学 | 1600篇 |
物理学 | 1293篇 |
出版年
2024年 | 10篇 |
2023年 | 43篇 |
2022年 | 89篇 |
2021年 | 97篇 |
2020年 | 149篇 |
2019年 | 185篇 |
2018年 | 163篇 |
2017年 | 205篇 |
2016年 | 206篇 |
2015年 | 218篇 |
2014年 | 257篇 |
2013年 | 405篇 |
2012年 | 201篇 |
2011年 | 252篇 |
2010年 | 165篇 |
2009年 | 206篇 |
2008年 | 238篇 |
2007年 | 214篇 |
2006年 | 203篇 |
2005年 | 191篇 |
2004年 | 170篇 |
2003年 | 179篇 |
2002年 | 169篇 |
2001年 | 139篇 |
2000年 | 131篇 |
1999年 | 135篇 |
1998年 | 97篇 |
1997年 | 85篇 |
1996年 | 65篇 |
1995年 | 33篇 |
1994年 | 31篇 |
1993年 | 22篇 |
1992年 | 19篇 |
1991年 | 18篇 |
1990年 | 15篇 |
1989年 | 9篇 |
1988年 | 9篇 |
1987年 | 3篇 |
1986年 | 9篇 |
1985年 | 10篇 |
1984年 | 8篇 |
1983年 | 3篇 |
1982年 | 5篇 |
1981年 | 6篇 |
1980年 | 3篇 |
1979年 | 6篇 |
1974年 | 1篇 |
1971年 | 3篇 |
1969年 | 1篇 |
1957年 | 1篇 |
排序方式: 共有5085条查询结果,搜索用时 16 毫秒
1.
2.
ABSTRACTQM(UB3LYP)/MM(AMBER) calculations were performed for the locations of the transition structure (TS) of the oxygen–oxygen (O–O) bond formation in the S4 state of the oxygen-evolving complex (OEC) of photosystem II (PSII). The natural orbital (NO) analysis of the broken-symmetry (BS) solutions was also performed to elucidate the nature of the chemical bonds at TS on the basis of several chemical indices defined by the occupation numbers of NO. The computational results revealed a concerted bond switching (CBS) mechanism for the oxygen–oxygen bond formation coupled with the one-electron transfer (OET) for water oxidation in OEC of PSII. The orbital interaction between the σ-HOMO of the Mn(IV)4–O(5) bond and the π*-LUMO of the Mn(V)1=O(6) bond plays an important role for the concerted O–O bond formation for water oxidation in the CaMn4O6 cluster of OEC of PSII. One electron transfer (OET) from the π-HOMO of the Mn(V)1=O(6) bond to the σ*-LUMO of the Mn(IV)4–O(5) bond occurs for the formation of electron transfer diradical, where the generated anion radical [Mn(IV)4–O(5)]-? part is relaxed to the ?Mn(III)4?…?O(5)- structure and the cation radical [O(6)=Mn(V)1]+ ? part is relaxed to the +O(6)–Mn(IV)1? structure because of the charge-spin separation for the electron-and hole-doped Mn–oxo bonds. Therefore, the local spins are responsible for the one-electron reductions of Mn(IV)4->Mn(III)4 and Mn(V)1->Mn(IV)1. On the other hand, the O(5)- and O(6)+ sites generated undergo the O–O bond formation in the CaMn4O6 cluster. The Ca(II) ion in the cubane- skeleton of the CaMn4O6 cluster assists the above orbital interactions by the lowering of the orbital energy levels of π*-LUMO of Mn(V)1=O(6) and σ*-LUMO of Mn(IV)4–O(5), indicating an important role of its Lewis acidity. Present CBS mechanism for the O–O bond formation coupled with one electron reductions of the high-valent Mn ions is different from the conventional radical coupling (RC) and acid-base (AB) mechanisms for water oxidation in artificial and native photosynthesis systems. The proton-coupled electron transfer (PC-OET) mechanism for the O–O bond formation is also touched in relation to the CBS-OET mechanism. 相似文献
3.
对由一类非线性抛物型变分不等方程所描述的无穷维动力系统,给出了存在全局吸引子及弱近似惯性流形的充分条件. 相似文献
4.
Mehdi Dehghan 《Numerical Methods for Partial Differential Equations》2002,18(2):193-202
Developement of numerical methods for obtaining approximate solutions to the three dimensional diffusion equation with an integral condition will be carried out. The numerical techniques discussed are based on the fully explicit (1,7) finite difference technique and the fully implicit (7,1) finite difference method and the (7,7) Crank‐Nicolson type finite difference formula. The new developed methods are tested on a problem. Truncation error analysis and numerical examples are used to illustrate the accuracy of the new algorithms. The results of numerical testing show that the numerical methods based on the finite difference techniques discussed in the present article produce good results. © 2002 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 18: 193–202, 2002; DOI 10.1002/num.1040 相似文献
5.
In mononuclear HgI2[(C5H4N)3N], mercury is tetrahedrally coordinated by two nitrogen atoms of a tris(2‐pyridyl)amine ligand and two iodides. The coordination moieties are connected by weak intermolecular Hg(II)···I interactions to give a one‐dimensional structure. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
6.
本文通过研究匹配问题的实例空间,匈牙利算法和解空间三者之间的关系,指出S实例空间的数目与问题复杂度之间的关系既不是充分也不是必要的,而如何对问题的解空间进行合理的分解才能是问题的关键。 相似文献
7.
研制出了用于计算氚投料量在FEB聚变堆各个子系统中的分布及其随时间变化的数值模拟程序包SWITRIM。通过近5年的使用,表明其运行良好、计算结果可靠。用SWITRIM数值模拟研究了聚变堆起动过程中的“氚坑深度和氚坑时间”新现象。简单介绍了SWITRIM程序包的组成和用户使用说明以及最新的运用等。 相似文献
8.
Q. Gong R. N tzel P.J. van Veldhoven T.J. Eijkemans J.H. Wolter 《Journal of Crystal Growth》2005,280(3-4):413-418
We report on the shape transition from InAs quantum dashes to quantum dots (QDs) on lattice-matched GaInAsP on InP(3 1 1)A substrates. InAs quantum dashes develop during chemical-beam epitaxy of 3.2 monolayers InAs, which transform into round InAs QDs by introducing a growth interruption without arsenic flux after InAs deposition. The shape transition is solely attributed to surface properties, i.e., increase of the surface energy and symmetry under arsenic deficient conditions. The round QD shape is maintained during subsequent GaInAsP overgrowth because the reversed shape transition from dot to dash is kinetically hindered by the decreased ad-atom diffusion under arsenic flux. 相似文献
9.
D. V. Artamonov 《Mathematical Notes》2007,81(5-6):573-589
A natural criterion for dimensional full-valuedness of locally compact spaces with finitely generated local homology is given. 相似文献
10.
Luke Pebody 《Journal of Combinatorial Theory, Series A》2006,113(3):551-555
Answering a question of Körner and Simonyi, this paper gives a strongly consecutive repeat-free code of maximal size in [b]n. 相似文献