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111.
We study the physical content of the Snider quantum transport equation and the origin of a puzzling feature of this equation, which implies contradictory values for the one-particle density operator. We discuss in detail why the two values are in fact not very different provided that the studied particles have sufficiently large wave packets and only a small interaction probability, a condition which puts a limit on the validity of the Snider equation. In order to improve its range of application, we propose a reinterpretation of the equation as a mixed equation relating the real one-particle distribution function (on the left-hand side of the equation) to the free distribution (on the right-hand side), which we have introduced in a recent contribution. In its original form, the Snider equation is valid only when used to generate Boltzmann-type equations where collisions are treated as point processes in space and time (no range, no duration); in this approximation, virial corrections are not included, so that the real and free distributions coincide. If the equation is used beyond this approximation to generate nonlocal and density corrections, we conclude that the results are not necessarily correct. 相似文献
112.
LetN be a sufficiently large even integer and
相似文献
113.
Patricia M. G. Paiva Luana C. B. B. Coelho 《Applied biochemistry and biotechnology》1992,36(2):113-118
Two additional electrophoretically distinct molecular forms, isoforms (iso) 2 and 3, with lectin properties were isolated
fromCratylia mollis Mart, seeds (FABACEAE), by extraction with 0.15M NaCl and ammonium sulfate fractionation, followed by chromatography on Sephadex
G-75 and Bio-Gel P-200 (iso 2), as well as CM-Cellulose and Sephadex G-75 (iso 3). Both isoforms were human group nonspecific
and showed distinct specificity. Polyacrylamide gel electrophoresis resolved iso 2 and 3 in polypeptides of apparent mol wts
60 and 31 kDa, respectively; a distinct isoelectric focusing pattern was obtained for iso 2 and 3, under denaturing and reducing
conditions. 相似文献
114.
We carried out molecular dynamics simulations of a Lorentz gas, consisting of a lone hydrogen molecule moving in a sea of stationary argon atoms. A Lennard-Jones form was assumed for the H2-Ar potential. The calculations were performed at a reduced temperatureK
* =kT/H
2–Ar = 4.64 and at reduced densities
*=
Ar
Ar
3
in the range 0.074–0.414. The placement of Ar atoms was assumed to be random rather than dictated by equilibrium considerations. We followed the trajectories of many H2 molecules, each of which is assigned in turn a velocity given by the Maxwell-Boltzmann distribution at the temperature of the simulation. Solving the equations of motion classically, we obtained the translational part of the incoherent dynamic structure factor for the H2 molecule,S
tr(q, ). This was convoluted with the rotational structure factorS
rot(q, ) calculated assuming unhindered rotation to obtain the total structure factorS(q, ). Our results agree well with experimental data on this function obtained by Egelstaffet al. At the highest density (
*=0.414) we studied the dependence ofS(q, ) on system size (number of Ar atoms), number of H2 molecules for which trajectories are generated, and the length of time over which these trajectories are followed. 相似文献
115.
116.
117.
热活化延迟荧光(TADF)聚合物,不仅具有小分子TADF材料高的激子利用效率特性,而且还具备分子多样性好、可溶液加工、低成本、以及易实现大面积柔性器件等诸多优势,在近几年受到广泛的关注并展现了良好的应用前景。本文从TADF聚合物分子设计原理、器件结构及发光机理出发,依据TADF聚合物的构筑方法不同,概括了其结构设计策略,详述了各种类型TADF聚合物的分子结构和光电性能及其在有机电致发光器件领域应用的研究进展,最后探讨了TADF聚合物存在的问题,并展望了其发展前景。 相似文献
118.
The ab initio molecular fragment approach is applied to a characterization study of the ground state of the zwitterion of glycine. Included among the properties studied are the — conformational energy surface, the electronic structure, and the magnitude and direction of the dipole moment. The results of the present study are compared to the results of other theoretical and experimental studies.This work was supported in part by the National Science Foundation, the University of Kansas, and the Upjohn Company, Kalamazoo, Michigan 49001.NSF Trainee (1969-1972).Alfred P. Sloan Research Fellow (1971–1973). 相似文献
119.
α—甲基苯乙烯离子聚合体分子量分布 总被引:1,自引:0,他引:1
聚α-甲基苯乙烯-丁二烯-α-甲基苯乙烯嵌段共聚物是一种性能优异的热塑性弹性体。常温下,α-甲基苯乙烯的聚合是在极性添加剂存在下进行的,添加剂的种类,用量及聚合温度不仅影响聚合动力学,尚且影响聚合物分子量及其分布,控制α-甲基苯乙烯聚合速率、 相似文献
120.
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