全文获取类型
收费全文 | 86篇 |
免费 | 30篇 |
国内免费 | 5篇 |
专业分类
化学 | 46篇 |
力学 | 3篇 |
综合类 | 1篇 |
数学 | 41篇 |
物理学 | 30篇 |
出版年
2021年 | 1篇 |
2020年 | 3篇 |
2019年 | 1篇 |
2014年 | 2篇 |
2012年 | 7篇 |
2011年 | 10篇 |
2010年 | 2篇 |
2009年 | 5篇 |
2008年 | 5篇 |
2007年 | 5篇 |
2006年 | 5篇 |
2005年 | 1篇 |
2004年 | 2篇 |
2003年 | 2篇 |
2002年 | 1篇 |
2000年 | 7篇 |
1999年 | 5篇 |
1998年 | 3篇 |
1997年 | 6篇 |
1996年 | 3篇 |
1995年 | 2篇 |
1994年 | 1篇 |
1993年 | 5篇 |
1992年 | 1篇 |
1991年 | 1篇 |
1989年 | 2篇 |
1986年 | 1篇 |
1985年 | 1篇 |
1984年 | 3篇 |
1982年 | 2篇 |
1981年 | 4篇 |
1980年 | 1篇 |
1978年 | 3篇 |
1977年 | 1篇 |
1976年 | 1篇 |
1975年 | 1篇 |
1974年 | 4篇 |
1973年 | 3篇 |
1972年 | 1篇 |
1970年 | 2篇 |
1969年 | 2篇 |
1968年 | 1篇 |
1965年 | 1篇 |
1938年 | 1篇 |
排序方式: 共有121条查询结果,搜索用时 15 毫秒
1.
2.
Experimentally observed product quantum state distributions across a wide range of abstraction reactions at suprathreshold collision energies have shown a strong bias against product internal energy. Only a fraction, sometimes quite a small fraction, of the energetically accessible product quantum states are populated. Picconatto et al. [J. Chem. Phys. 114, 1663 (2001)] noted a simple mathematical relationship between the highest-energy rovibrational states observed and the kinematics of the reaction system. They proposed a reaction model based on reaction kinematics that quantitatively explains this behavior. The model is in excellent agreement with measured quantum state distributions. The assumptions of the model invoke detailed characteristics of reactive trajectories at suprathreshold collision energies. Here we test those assumptions using quasiclassical trajectory calculations for the abstraction reactions H+HCl-->H2+Cl, D+HCl-->HD+Cl, and H+DCl-->HD+Cl. Trajectories were run on a potential-energy surface calculated with a London-Eyring-Polyani-Sato function with a localized 3-center term (LEPS-3C) previously shown to accurately reproduce experimentally observed product state distributions for the H+HCl abstraction reaction. The trajectories sample collision energies near threshold and also substantially above it. Although the trajectories demonstrate some aspects of the model, they show that it is not valid. However, the inadequacy of the proposed model does not invalidate the apparent kinematic basis of the observed energy constraint. The present results show that there must be some other molecular behavior rooted in the reaction kinematics that is the explanation and the source of the constraint. 相似文献
3.
4.
Shuman Li Alireza Azizi Steven R. Kirk Samantha Jenkins 《International journal of quantum chemistry》2020,120(19):e26361
We seek to explain why the hydrogen bond possesses unusual strength in small water clusters that account for many of the complex behaviors of water. We have investigated and visualized the donation of covalent character from covalent (sigma) to hydrogen bonds by calculating the eigenvector coupling properties of quantum theory of atoms in molecules (QTAIM), stress tensor σ ( r ), and Ehrenfest Force F ( r ) on the F ( r ) molecular graph. The next-generation three-dimensional (3-D) bond-path framework sets are presented, and only the F ( r ) bond-path framework sets reproduce the earlier finding on the coupling between covalent (sigma) and hydrogen bonds that possess a degree of covalent character. Exploration of the bond-path between the covalent (sigma) and hydrogen bond's critical points provides an explanation for the previously obtained coupling results. The directional character of the covalent (sigma) and hydrogen bonds' 3-D bond-path framework sets for the F ( r ) explains differences found in the earlier results from QTAIM and the stress tensor σ ( r ). 相似文献
5.
Bopp JC Miller TM Friedman JF Shuman NS Viggiano AA 《The Journal of chemical physics》2010,133(15):154306
Electron attachment to propargyl chloride (HC≡C-CH(2)Cl) was studied in a flowing-afterglow Langmuir-probe apparatus from 305 to 540 K. The sole ion product in this temperature range is Cl(-). Electron attachment is very inefficient, requiring correction for a competing process of electron recombination with molecular cations produced in reaction between Ar(+) and propargyl chloride and subsequent ion-molecule reactions. The electron attachment rate coefficient was measured to be 1.6×10(-10)cm(3)?s(-1) at 305 K and increased to 1.1×10(-9)cm(3)?s(-1) at 540 K. 相似文献
6.
The mutual neutralization of anions with Ar+ has been studied by variable electron and neutral density attachment mass spectrometry. Evidence of a previously unobserved plasma loss process, electron-catalyzed mutual neutralization (ECMN), e.g., SF6-+Ar+ + e-→neutrals + e-, is reported. Results for 10 species suggest that ECMN occurs generally and significantly affects the total ion-loss rate in plasmas with electron densities exceeding 10(10) cm-3. ECMN is discussed in the context of other known three-body plasma processes, the mechanisms for which appear insufficient to explain the observed effect. A mechanism for ECMN involving an incident electron facilitating energy transfer to the internal modes of the anion is proposed. 相似文献
7.
8.
Liondas CA; Chrissoulidis DP 《The Quarterly Journal of Mechanics and Applied Mathematics》2007,60(3):275-287
This paper is intended to clarify a misunderstanding concerningthe source singularity of the electric Green's tensor for aperfectly conducting semi-infinite cone of circular cross-section.Tai's series expansion of the Green's tensor is known to lacka singular term at the source region. Jones has reconstructedthe solution to this problem and has pointed out the differencebetween his result and that of Tai. The aim of our paper isto demonstrate that, although Jones's closed-form solution iscorrect, there is a mistake in his comparison with Tai's seriessolution. We conclude that one of the two additional singularterms that Jones claims as missing from Tai's formula must beomitted. Besides, we compare Jones's closed-form solution withSmyshlyaev's solution to the very same problem. We concludethat the magnetic field expressions given by Jones and Smyshlyaevcoincide, but a singular term is missing from Smyshlyaev's expressionfor the electric field. 相似文献
9.
Goodman TNT; Micchelli CA; Rodriguez G; Seatzu S 《IMA Journal of Numerical Analysis》1998,18(3):331-354
It is shown that, under certain conditions, orthonormalizingthe positive integer shifts of an exponentially decaying functionon the half line by the Gram-Schmidt process leads to a limitingprofile given by orthonormalizing all their integer shifts onthe whole line. These results derive from properties of Choleskyfactorization of bi-infinite and semi-infinite matrices. Anexample is provided by the negative exponential function andconjectures are given, supported by numerical evidence, forthe Gaussian and Lorentz function. 相似文献
10.
É. A. Smorgonskaya R. N. Kyutt V. B. Shuman A. M. Danishevskii S. K. Gordeev A. V. Grechinskaya 《Physics of the Solid State》2002,44(10):2001-2008
A new nanocomposite material containing approximately 50 vol % S is prepared by filling pores of bulk nanoporous carbon samples with sulfur. The initial nanoporous carbon samples are synthesized from polycrystalline α-SiC through the chemical reaction. A comparative investigation of small-angle x-ray scattering (SAXS) is performed for the prepared nanocomposite and the initial material. The possible changes in the scattering power of the initial material upon filling of its pores with sulfur are considered in the framework of a simple model. The regularities revealed are used to interpret the experimentally observed changes in the scattering power. The size distribution functions of incorporated sulfur nanoclusters in the nanocomposite (or filled nanopores in the initial material) are determined within the Guinier approximation. It is demonstrated that the smallest sized pores (8–16 Å) remain unfilled, whereas the filling factor for larger sized pores can reach several ten percent by volume. The conditions favorable for small-angle x-ray scattering upon filling of the nanopores are analyzed. 相似文献