全文获取类型
收费全文 | 453篇 |
免费 | 0篇 |
国内免费 | 4篇 |
专业分类
化学 | 286篇 |
力学 | 18篇 |
数学 | 92篇 |
物理学 | 61篇 |
出版年
2023年 | 5篇 |
2022年 | 5篇 |
2021年 | 10篇 |
2020年 | 5篇 |
2019年 | 4篇 |
2018年 | 9篇 |
2017年 | 7篇 |
2016年 | 6篇 |
2015年 | 5篇 |
2014年 | 9篇 |
2013年 | 18篇 |
2012年 | 23篇 |
2011年 | 26篇 |
2010年 | 19篇 |
2009年 | 16篇 |
2008年 | 35篇 |
2007年 | 31篇 |
2006年 | 25篇 |
2005年 | 14篇 |
2004年 | 20篇 |
2003年 | 22篇 |
2002年 | 26篇 |
2001年 | 4篇 |
2000年 | 3篇 |
1999年 | 9篇 |
1998年 | 6篇 |
1997年 | 10篇 |
1996年 | 9篇 |
1995年 | 8篇 |
1994年 | 4篇 |
1992年 | 2篇 |
1991年 | 3篇 |
1990年 | 6篇 |
1989年 | 4篇 |
1988年 | 3篇 |
1987年 | 3篇 |
1986年 | 2篇 |
1985年 | 3篇 |
1984年 | 3篇 |
1982年 | 4篇 |
1981年 | 6篇 |
1980年 | 4篇 |
1979年 | 2篇 |
1978年 | 4篇 |
1976年 | 5篇 |
1975年 | 3篇 |
1974年 | 1篇 |
1973年 | 2篇 |
1972年 | 1篇 |
1930年 | 1篇 |
排序方式: 共有457条查询结果,搜索用时 15 毫秒
11.
Analysis of the electronic structure of the electron-deficient cluster cation [Ru4(eta6-C6H6)4H4](2+) (1(2+)) by density functional theory calculations shows a very small energy gap (0.06 eV) between the diamagnetic singlet state and the paramagnetic triplet state, as a consequence of the absence of a significant Jahn-Teller distortion in the molecular structure of 1(2+). Magnetic measurements of [1]Cl2, [1][BF4]2, and [1][PF6]2 show 1(2+) to be diamagnetic in the fundamental state, with some weak temperature-independent paramagnetism, depending upon the nature of the counterion. 相似文献
12.
Sylvain Achelle Samia Kahlal Jean-Yves Saillard Nolwenn Cabon Bertrand Caro Françoise Robin-le Guen 《Tetrahedron》2014
Thirteen novel dipolar and V-shaped chromophores with pyranylidene electron-donating part, diazine electron-withdrawing part and various π-linkers were synthesized. The extent of intramolecular charge transfer, structure-property relationships and optical properties were further investigated by UV/Vis absorption, electrochemistry, and DFT calculations. 相似文献
13.
Laurent Jeannin Janos Sapi Elka Vassileva Pierre Renard Jean-Yves Laronze 《合成通讯》2013,43(9):1711-1719
Three methods have been proposed for the preparation of functionalized 1-oxo-1,2,3,4-tetrahydro-β-carboline-3 carboxylates (3) from which the “acylazide formation-Curtius rearrangement-acid catalyzed ring closure” sequence starling from hemi-ester hemi-acids (8) seemed to be quite general. 相似文献
14.
Maud Jenart Claude Niebel Jean-Yves Balandier Julie Leroy Alix Mignolet Sara Stas Antoine Van Vooren Jérôme Cornil Yves Henri Geerts 《Tetrahedron》2012,68(1):349-355
Two quaterthiophene-based dimers including an ethylene bridge have been designed and efficiently prepared; experimental and computational studies show a promising potential as semiconducting material with a charge transport of higher dimensionality compared to quaterthiophene. 相似文献
15.
Bendjaballah S Kahlal S Costuas K Bévillon E Saillard JY 《Chemistry (Weinheim an der Bergstrasse, Germany)》2006,12(7):2048-2065
DFT calculations with full geometry optimization have been carried out on a series of real and hypothetical compounds of the type [CpM(C8H6)], [(CO)3M(C8H6)], [M(C8H6)2], [(CpM)2(C8H6)], [[(CO)3M]2(C8H6)], and [M2(C8H6)2] (M = transition metal). The bonding in all the currently known compounds is rationalized, as well as in the (so far) hypothetical stable complexes. Depending on the electron count and the nature of the metal(s), eta2 (predicted), eta3, eta5, eta8, or intermediate coordination modes can be adopted. In the case of the mononuclear species, the most favored closed-shell electron counts are 18 and 16 metal valence electrons (MVE). In the case of the dinuclear species, an electron count of 34 MVEs is most favored. However, other electron counts can be stabilized, especially in the case of dinuclear complexes. Coordinated pentalene should most often be considered as formally being a dianion, but sometimes as a neutral ligand. In the former case it can behave as an aromatic species made of two equivalent fused rings, as a C5 aromatic ring connected to an allylic anion, or even as two allylic anions bridged by a C7=C8 double bond. In the latter case, it can behave as a bond-alternating cyclic polyene or as a C5 aromatic ring connected to an allylic cation. 相似文献
16.
Jean-Yves Sanchez Fannie Alloin Cristina Iojoiu 《Journal of fluorine chemistry》2006,127(11):1471-1478
This contribution has been partly adapted from a special lecture intended to commemorate the Nobel prize, awarded one century ago, to Henri Moissan. It, is focused on fluorinated and perfluorinated molecules and macromolecules used in electrochemical energy sources, i.e. storage and conversion of energy. The latter, which figure indisputably among New Energy Technologies, include lithium batteries and fuel cells based on polymeric membranes both of which have tremendous development potential in terms of performances, safety and cost reductions. The advantages inherent in fluorine, in particular its electron-withdrawing effect and the oxidation stability that it provides to the carbon-fluorine bond, make it an asset in the search for new organic molecular and macromolecular anions with extensive delocalization of the negative charge, usable both in lithium batteries and fuel cells. As for fluorinated and perfluorinated macromolecule backbones, they are currently the reference material in fuel cell ionomeric membranes but some of them are also good candidates for use in lithium-ion batteries. This paper, far from being exhaustive, also emphasizes the economic aspects that influence material selection and also govern the future of basic research. 相似文献
17.
Xu YiTing Lin SuJuan Peng XiaoLiang Luo Wei-Ang Gal Jean-Yves Dai LiZong 《中国科学:化学(英文版)》2010,53(9):2006-2014
Science China Chemistry - In this study, platinum (Pt)-polyaniline(PANI)/MWNTs catalysts were synthesized by two sequential reactions. First, core-shell structural PANI/MWNTs composites were... 相似文献
18.
J.‐Y. Chemin 《纯数学与应用数学通讯》2011,64(12):1587-1598
This article studies the problem of L2 stability and weak‐strong uniqueness of solutions of the incompressible Navier‐Stokes on the whole space \input amssym ${\Bbb S}^3$ constructed by Kato's approach in spaces coming from Littlewood‐Paley theory and using the L1 smoothing effect for the heat flow. © 2011 Wiley Periodicals, Inc. 相似文献
19.
Vega A Calvo V Spodine E Zárate A Fuenzalida V Saillard JY 《Inorganic chemistry》2002,41(13):3389-3395
The reaction of the organometallic carboxylic acid HOOCCCHCo(2)(CO)(6) with copper(II) methoxide leads to a new inorganometallic cluster; Cu(3)[mu(2)-(CCHCo(2)(CO)(6))](3). This cluster has a triangular core of copper(I) centers surrounded by three CCHCo(2)(CO)(6) fragments. The structure of the cluster has short Cu-Cu and Cu-Co distances (average 2.500 and 2.540 A, respectively). DFT calculations provide a rationalization of the peculiar bonding in this cluster. 相似文献
20.
Electronic structures of electron-rich octahedrally condensed transition-metal chalcogenide clusters
The electronic structures of some electron-rich octahedrally condensed transition-metal chalcogenide clusters are analyzed with the aid of extended Hückel and density functional molecular orbital calculations. A simple orbital approach is developed to analyze the electron counts of these clusters, which do not obey any existing electron-counting rules. Different electron counts are allowed, depending upon the nature of the metal. Optimal counts are discussed. Metal-metal bonding is generally weak in these species. Consequently, their structural arrangements are mainly governed by metal-ligand interactions. 相似文献