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1.
用密耦方法计算了非对称同位素替代分子与氦原子碰撞(He-HD,HT,DT)转动激发,当入射能量E=0.3 eV时,得到了上述碰撞体系的微分散射截面或角分布.基于上述理论计算,讨论了原子与双原子分子碰撞的同位素效应. 相似文献
2.
Najib Abusalbi David W. Schwenke C. Alden Mead Donald G. Truhlar 《Theoretical chemistry accounts》1987,71(5):333-357
We discuss molecule-frame and laboratory-frame symmetry-adapted formalisms for electron scattering by a spherical top. The molecule-frame formalism is based on the fixed-nuclear-orientation approximation, both for electronically elastic scattering by a vibrationally rigid molecule and also for the more general case where electronic excitation and vibrational degrees of freedom are included. The laboratory-frame formalism is based on the exact symmetries of the problem, which are carefully related to the approximate symmetries of the molecule-frame treatment. We present both the forward and backward transformations between the two representations. 相似文献
3.
F. Thibault K.A. Grabow C.I. Marcus L.A. Robertson M.C. Stoffel 《Journal of Molecular Spectroscopy》2009,256(1):17-2081
Theoretical and experimental values have been determined for the pressure broadening of the ν1 + ν3 band of acetylene by hydrogen and deuterium at 195 K, and experimental values of the pressure shifts have been determined. Theoretical values have been calculated on the basis of a recent potential energy surface using the close coupling scheme. We discuss the detailed contribution of the various rotational angular momenta of the perturbing gas and the ortho and para contribution to the total pressure broadening cross-sections. We give routes to circumvent the computational cost of such calculations. Experimental values have been measured using a tunable diode laser spectrometer assuming a Voigt line shape. These pressure broadening parameters are compared with measurements performed recently at room temperature and with present measurements performed at 195 K in the ν1 + ν3 band of acetylene. A satisfactory agreement is obtained with the present results and available ones at 295 K. 相似文献
4.
Günter Haufe Thomas C. RosenOliver G.J. Meyer R. FröhlichKari Rissanen 《Journal of fluorine chemistry》2002,114(2):189-198
Monofluorinated cyclopropanecarboxylates are available in racemic or optically active form by transition metal-catalyzed reactions of vinylfluorides with diazoacetates. From α-fluorostyrene and tert-butyl diazoacetate in the presence of 2 mol% of an enantiopure bis(oxazoline) copper complex, a 81:19 mixture of tert-butyl trans- and cis-2-fluoro-2-phenylcyclopropanecarboxylates was obtained with high enantiomeric excess (ee) of 93 or 89%, respectively. The corresponding racemic ethylesters were used as starting materials for the synthesis of carboxamides, of the cis- and trans-isomers of analogues of tranylcypromine, an anti-depressive drug and several of its homologous fluorinated cyclopropylmethyl and cyclopropylethyl amines. Corresponding enantiopure cyclopropylmethanols and several of their derivatives were synthesized also. Solid state structures of a selection of these compounds were examined by X-ray crystallography. Particularly, the cis-configurated fluorinated phenylcyclopropane derivatives showed extremely close intermolecular CH?FC contacts. The shortest of such distances (2.17 Å) was found in the N-(4-bromophenyl)carbamate of (1S,2R)-(2-fluoro-2-phenylcyclopropyl)methanol. 相似文献
5.
In this paper, we consider the short-pulse equation (SPE) by using the dynamical system theory. The periodic solutions of the SPE are investigated. The solutions are characterized by two parameters. The periodic waves existent conditions are found, and explicit parametric expressions of all periodic solutions are given. 相似文献
6.
哈萨克文的每个字母分四种字体,用于句子的不同位置,当用计算机处理哈文信息时,每个字母间靠近程度是模糊的。本文提出一种用模糊综合评判法来评价字库,且提出改进方案的方法。 相似文献
7.
当入射氦原子能量为0.05eV时,计算了氦原子与氢分子碰撞的弹性散射和第一转动激发截面,用密耦方法计算了50个分波,得到的分波截面收敛得很好。 相似文献
8.
F. Beukers 《Journal of Number Theory》2010,130(3):660-679
In this article we discuss how close different powers of integers can be to each other. In addition we study pairs of powers of polynomials with rational coefficients which have differences of small positive degree. 相似文献
9.
《Physics letters. A》2020,384(31):126794
An analytical approach for the electronic stopping force for non-relativistic energies that has no adjustable parameters has been developed. The approach combines the Bohr model for the close collisions and the Firsov model for the distant collisions. In order to combine the two models, a probabilistic model was introduced. We have applied our model to 16O in 12C, 16O in 27Al, 84 Kr in 27Al, 5Li in 12C, 12C in 12C, and 132Xe in 12C systems and compared with SRIM/MSTAR software, the original Bohr model, the Firsov model and available experimental data. We have found that the calculated electronic stopping force values are in agreement with the general qualitative behaviour of the electronic stopping force as a function of particle velocity reported in the literature. The proposed analytical formula is expected to be valid for other projectile-target combinations but more experimental data are needed to verify this assumption. 相似文献
10.
针对飞行试验测量视场大相机标定精度低的问题,提出一种高精度CCD相机分区域标定方法。该方法首先通过将标靶均匀布置在摄像机视场内,使得标靶尽可能均匀错落地充满整个视场范围,再结合人眼判读的方式求解靶标的像面位置,最终与全站仪三维坐标形成精确的空间标定点集。接着,将像平面按横向方向等间距分割成N个区域,并结合后方交会的方法分别对每个子区域进行相机参数的计算。实验结果表明:经过分区域标定,相机采集点的总误差比单区域标定法降低了4%(N=3)。算法可实现指定区域的相机参数计算,基本满足中高等精度的工业测量要求。所本文研究可应用于位置相对固定不变的工业视觉测量,特别是大工件测量领域。 相似文献