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51.
烷基硫酸盐表面张力的量子化学研究 总被引:1,自引:0,他引:1
用AMl量子化学计算法优化了十三烷基硫酸根阴离子和——CH3在不同取代位的十二烷基硫酸根阴离子的几何构型,得到最优构型时最高占据分子轨道能级EHOMO、最低空轨道能级ELUMO、电子能量Eele和偶极矩μ等数据.将这些电子结构数据分别与表面张力相拟合,得到很好的相关性。文中讨论了——CH3在不同位置取代对表面张力的影响。 相似文献
52.
53.
We show that there are close relations between extremal problems in dual Brunn-Minkowski theory and isotropic-type properties for some Borel measures on the sphere. The methods we use allow us to obtain similar results in the context of Firey-Brunn-Minkowski theory. We also study reverse inequalities for dual mixed volumes which are related with classical positions, such as ?-position or isotropic position. 相似文献
54.
Andrei K. Lerner 《Archiv der Mathematik》2005,85(6):538-543
We show that the Hardy-Littlewood maximal operator and a class of Calderón-Zygmund singular integrals satisfy the strong type
modular inequality in variable Lp spaces if and only if the variable exponent p(x) ∼ const.
Received: 15 September 2004 相似文献
55.
Nonlocal vertex algebras generated by formal vertex operators 总被引:2,自引:0,他引:2
Haisheng Li 《Selecta Mathematica, New Series》2005,11(3-4):349-397
This is the first paper in a series to study vertex algebra-like objects arising from infinite-dimensional quantum groups
(quantum affine algebras and Yangians). In this paper we lay the foundations for this study. For any vector space W, we study what we call quasi compatible subsets of Hom (W,W((x))) and we prove that any maximal quasi compatible subspace has a natural nonlocal (namely noncommutative) vertex algebra
structure with W as a natural faithful quasi module in a certain sense, and that any quasi compatible subset generates a nonlocal vertex algebra
with W as a quasi module. In particular, taking W to be a highest weight module for a quantum affine algebra we obtain a nonlocal vertex algebra with W as a quasi module. We also formulate and study a notion of quantum vertex algebra and we give general constructions of nonlocal
vertex algebras, quantum vertex algebras and their modules. 相似文献
56.
Deborah M. Greaves 《国际流体数值方法杂志》2006,50(6):693-711
An adaptive hierarchical grid‐based method for predicting complex free surface flows is used to simulate collapse of a water column. Adapting quadtree grids are combined with a high‐resolution interface‐capturing approach and pressure‐based coupling of the Navier–Stokes equations. The Navier–Stokes flow solution scheme is verified for simulation of flow in a lid‐driven cavity at Re=1000. Two approaches to the coupling of the Navier–Stokes equations are investigated as are alternative face velocity and hanging node interpolations. Collapse of a water column as well as collapse of a water column and its subsequent interaction with an obstacle are simulated. The calculations are made on uniform and adapting quadtree grids, and the accuracy of the quadtree calculations is shown to be the same as those made on the equivalent uniform grids. Results are in excellent agreement with experimental and other numerical data. A sharp interface is maintained at the free surface. The new adapting quadtree‐based method achieves a considerable saving in the size of the computational grid and CPU time in comparison with calculations made on equivalent uniform grids. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
57.
We obtain expressions for the energy spectrum widths of Rayleigh waves corresponding to their deformational coupling to Fermi and Boltzmann electrons in a two-dimensional layer near the surface of a semibounded solid. We evaluate the nonequilibrium energy of Rayleigh waves that depends on these widths and is caused by the same coupling to the corresponding hot electrons. We show that this energy is independent of the degeneracy degree of the electrons and is given by the mean energy of free Rayleigh waves heated up to temperature of the electrons. We find conditions under which the thermodynamics is determined by this nonequilibrium energy of Rayleigh waves in films of a certain thickness with Fermi electrons near the surface and by the equilibrium energy of bulk phonons in thicker samples. All the results are obtained using the Keldysh diagram technique applied to the case of semibounded media. 相似文献
58.
We predict ultraslow collapse of “tubular image states” (TIS) on material surfaces. TIS are bound Rydberg-like electronic states formed at large distances (∼30 nm) from the surfaces of suspended circularly-symmetric nanowires, such as metallic C nanotubes. The states are formed in potential wells, resulting from a combination of the TIS-electron attraction to image charges in the nanotube and its centrifugal repulsion, caused by spinning around the tube. We demonstrate that TIS can collapse on the tube surface by passing their angular momentum l to circularly polarized flexural phonons excited in the tube. Our analysis shows that for highly detached TIS with l ? 6 the relaxation lifetimes are of the order of 10 ns-1 μs, while for l < 6 these lifetimes are reduced by several orders of magnitude. 相似文献
59.
60.
用三维TRS(totalrouthiansurface)自洽理论对奇奇核164Lu的位能面进行了计算,计算结果与实验上得到的ε2=0.38基本一致,从而从理论上确认了164Lu是三轴超形变核,并且指出了存在三轴超形变带的两个组态. Total routhian surface in~(164)Lu nuclei is calculated according to the three dimensional Total Routhian Surface (TRS) theory. The result of the calculation is in agreement with the experiment. At the same time, two TSD bands could be assigned to the configuration(π\(1/2), α=1/2)(ν\(5/2), α=1/2), (π\(1/2), α=1/2)(ν\(3/2), α=-1/2). 相似文献