全文获取类型
收费全文 | 435篇 |
免费 | 0篇 |
国内免费 | 4篇 |
专业分类
化学 | 264篇 |
力学 | 38篇 |
数学 | 90篇 |
物理学 | 47篇 |
出版年
2023年 | 4篇 |
2022年 | 2篇 |
2021年 | 10篇 |
2020年 | 5篇 |
2019年 | 4篇 |
2018年 | 8篇 |
2017年 | 7篇 |
2016年 | 6篇 |
2015年 | 5篇 |
2014年 | 9篇 |
2013年 | 16篇 |
2012年 | 23篇 |
2011年 | 26篇 |
2010年 | 19篇 |
2009年 | 16篇 |
2008年 | 35篇 |
2007年 | 33篇 |
2006年 | 25篇 |
2005年 | 14篇 |
2004年 | 18篇 |
2003年 | 23篇 |
2002年 | 27篇 |
2001年 | 4篇 |
2000年 | 6篇 |
1999年 | 4篇 |
1998年 | 3篇 |
1997年 | 3篇 |
1996年 | 12篇 |
1995年 | 10篇 |
1994年 | 7篇 |
1993年 | 2篇 |
1992年 | 3篇 |
1991年 | 3篇 |
1990年 | 5篇 |
1989年 | 2篇 |
1988年 | 3篇 |
1987年 | 3篇 |
1985年 | 3篇 |
1984年 | 2篇 |
1982年 | 3篇 |
1981年 | 5篇 |
1980年 | 5篇 |
1979年 | 1篇 |
1978年 | 3篇 |
1977年 | 1篇 |
1976年 | 4篇 |
1975年 | 3篇 |
1974年 | 2篇 |
1973年 | 2篇 |
排序方式: 共有439条查询结果,搜索用时 15 毫秒
61.
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
62.
63.
Ioannis G. Tigelis Jean-Yves Raguin Zisis C. Ioannidis George P. Latsas Angelos J. Amditis 《International Journal of Infrared and Millimeter Waves》2008,29(4):432-442
The dispersion characteristics of a circular cylindrical waveguide with periodic surface corrugations consisting of rectangular
grooves with smoothing are examined using the Space Harmonic Method (SHM). The whole structure is divided into two regions,
one describing the propagation volume and one inside the grooves. In the first region, the Floquet theorem is applicable and
the field distribution is expressed as a summation of spatial Bloch components, whereas in the second one an appropriate Fourier
expansion of standing waves is used. Applying the boundary conditions an infinite system of equations is obtained, which is
solved numerically by truncation. Several cases are considered, including the limiting cases of a sinusoidal and a rectangular
corrugation profile, to check the accuracy of the method proposed as well as its dependence on the corrugation profile. Numerical
results are presented only for transverse magnetic modes, although the formalism can be easily extended to include all kinds
of waves that can in principle propagate in such a structure. 相似文献
64.
Jean-Christophe Novelli Thierry Paul David Sauzin Jean-Yves Thibon 《Letters in Mathematical Physics》2018,108(7):1583-1600
We derive new expressions for the Rayleigh–Schrödinger series describing the perturbation of eigenvalues of quantum Hamiltonians. The method, somehow close to the so-called dimensional renormalization in quantum field theory, involves the Birkhoff decomposition of some Laurent series built up out of explicit fully non-resonant terms present in the usual expression of the Rayleigh–Schrödinger series. Our results provide new combinatorial formulae and a new way of deriving perturbation series in quantum mechanics. More generally we prove that such a decomposition provides solutions of general normal form problems in Lie algebras. 相似文献
65.
Nabila Guechtouli Abdou Boucekkine Jean-François Halet Samia Kahlal Hacène Meghezzi Jean-Yves Saillard 《Journal of Cluster Science》2012,23(3):913-928
Four different skeletal structural arrangements with very different connectivities are known for 6-vertex/68-electron of M4E2 core (M = transition metal; E = main-group atom or ligand). DFT calculations on a large number of title model compounds allow to rationalize the preferences between these structural shapes with respect to the nature of the metal and main-group elements constituting the cluster cage. In particular, the electronegativity of M and the “size” (first-row vs. second-row element) of E play an important role in the stability preference of a particular isomer. For several compounds, although only one type of structure is known, other low-energy isomeric forms are also likely to exist. Moreover, two structural types, so far unreported, are predicted to be stable enough for being synthesized. 相似文献
66.
R Spezia A Cimas MP Gaigeot JY Salpin K Song WL Hase 《Physical chemistry chemical physics : PCCP》2012,14(33):11724-11736
In this paper we report different theoretical approaches to study the gas-phase unimolecular dissociation of the doubly-charged cation [Ca(urea)](2+), in order to rationalize recent experimental findings. Quantum mechanical plus molecular mechanical (QM/MM) direct chemical dynamics simulations were used to investigate collision induced dissociation (CID) and rotational-vibrational energy transfer for Ar + [Ca(urea)](2+) collisions. For the picosecond time-domain of the simulations, both neutral loss and Coulomb explosion reactions were found and the differences in their mechanisms elucidated. The loss of neutral urea subsequent to collision with Ar occurs via a shattering mechanism, while the formation of two singly-charged cations follows statistical (or almost statistical) dynamics. Vibrational-rotational energy transfer efficiencies obtained for trajectories that do not dissociate during the trajectory integration were used in conjunction with RRKM rate constants to approximate dissociation pathways assuming complete intramolecular vibrational energy redistribution (IVR) and statistical dynamics. This statistical limit predicts, as expected, that at long time the most stable species on the potential energy surface (PES) dominate. These results, coupled with experimental CID from which both neutral loss and Coulomb explosion products were obtained, show that the gas phase dissociation of this ion occurs by multiple mechanisms leading to different products and that reactivity on the complicated PES is dynamically complex. 相似文献
67.
Jadson L. Oliveira Maria J. Silva Tupolevck Florêncio Karène Urgin Stéphane Sengmany Eric Léonel Jean-Yves Nédélec Marcelo Navarro 《Tetrahedron》2012,68(10):2383-2390
One step nickel-catalyzed electroreductive homocoupling among 2-bromopicolines and 2-bromopyridine has been investigated by our group in an undivided cell and using zinc or iron as sacrificial anode. In this work, it was developed mono and dihalopyridines coupling to obtain possible products from heterocoupling. A series of reactions were carried out in order to develop a synthetic method for the preparation of unsymmetrical 2,2′-bipyridines and 2,2′:6′,2″-terpyridines. Statistical yields (50%) were observed for 2-bromopyridines/2-bromo-6-methylpyridine heterocoupling. In a preliminary study devoted to terpyridines preparation, good results were obtained for 2,6-dihalopyridines homocoupling, affording 2,6-dichloro-2,2′-bipyridine (46%) and 2,6-dibromo-2,2′-bipyridine (56%), at controlled reaction time. At major reaction time, it was observed that the direct electroreduction of the 2,6′-dihalo-2,2′-bipyridines intermediates and 2,6″-dihalo-2,2′:6′,2″-terpyridines products on the cathode surface. A reasonable isolated product yield of 6,6″-dimethyl-2,2′:6′,2″-terpyridine (10%) was only observed in the reaction between 2,6-dichloropyridine and 2-bromo-6-methylpyridine (1:2). 相似文献
68.
Chemin Jean-Yves 《偏微分方程通讯》2013,38(11-12):1771-1779
In this article, we shall study the inviscid limit of two dimensional fluids with bounded voticity. We prove that the solution of incompressible Navier-Stokes system converges strongly in L2 to the solution of the Euler incompressible system in the case of two-dimensional fluids in the whole space. 相似文献
69.
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
70.
Jean-Yves Raty Céline Otjacques Jean-Pierre Gaspard Christophe Bichara 《Solid State Sciences》2010,12(2):193-198
Ge1Sb2Te4 is one of the most commonly used phase change materials, due to the large optical and electrical contrast between a metastable crystalline phase and the amorphous phase. We use ab initio molecular dynamics to generate an amorphous Ge1Sb2Te4 structure. By analysing the distance distributions, we show that the structure can be analysed in terms of 21% of tetrahedrally coordinated Ge atoms and 79% of 3-fold Ge atoms. These are involved in distorted octahedral shells with bond length correlations that are similar to the a-GeTe structure as a consequence of a Peierls-distortion. The electronic properties are shown to be in reasonable agreement with the experiment with an electronic gap of 0.45 eV with. The optical conductivity curve is also in agreement with the experiment, with a maximal conductivity at an energy of ~3 eV. 相似文献