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101.
XiaoMinSUN DaChengFENG ZhengTingCAI 《中国化学快报》2004,15(6):749-752
For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail. 相似文献
102.
FengSHI HongYangLI XiaoJunPENG RongZHANG XiaoQiangCHEN JiangLiFAN LiChengSUN 《中国化学快报》2004,15(12):1407-1410
As photosensitizer for solar cell, a new ruthenium (Ⅱ) complex with four ester groups had been synthesized, in which a phenol substituted by {[(2-hydroxy-5-tert-butylbenzyl)(pyridyl-2-methyl)amino]methyl} is covalently linked to ruthenium (Ⅱ) tris-bipyridine. The structures of the new compounds were confirmed by NMR and ESI-MS spectra. The electrochemical and photochemical properties were also studied. 相似文献
103.
Kinetic parameters of amino acid cations in an MK-40 ion-exchange membrane are calculated from the conductivity data. A theoretical quantum-chemical analysis of experimental activation energies for conduction suggests a mechanism of elementary act of transport of amino acid cations in the membrane. 相似文献
104.
We analyse a model for equilibrium configurations of composite systems of nematic liquid crystal with polymer inclusions, in the presence of an external magnetic field. We assume that the system has a periodic structure, and consider the relaxed problem on the unit length constraint of the nematic director field. The relaxation of the Oseen–Frank energy functional is carried out by including bulk as well as surface energy penalty terms, rendering the problem fully non‐linear. We employ two‐scale convergence methods to obtain effective configurations of the system, as the size of the polymeric inclusions tends to zero. We discuss the minimizers of the effective energies for, both, the constrained as well as the unconstrained models. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
105.
Toshihiro Kobayashi 《Mathematical Methods in the Applied Sciences》2004,27(18):2171-2184
In this paper low‐gain adaptive stabilization of undamped semilinear second‐order hyperbolic systems is considered in the case where the input and output operators are collocated. The linearized systems have an infinite number of poles and zeros on the imaginary axis. The adaptive stabilizer is constructed by a low‐gain adaptive velocity feedback. The closed‐loop system is governed by a non‐linear evolution equation. First, the well‐posedness of the closed‐loop system is shown. Next, an energy‐like function and a multiplier function are introduced and the exponential stability of the closed‐loop system is analysed. Some examples are given to illustrate the theory. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
106.
K. S. Birdi 《Colloid and polymer science》1997,275(6):561-566
The surface tension versus temperature data of homologous series of n-alkanes and n-alkenes is analyzed. Critical temperatures are shown to be predicted from these data, with a very high precision, after some
corrections are made. The corrections are shown to arise from the effect of the critical pressure on the extrapolated data
to surface tension approaching zero.
Received: 29 October 1996 Accepted: 13 December 1996 相似文献
107.
108.
We show that, contrary to earlier reports, application of the one-parameter variational technique to the classical (image) model for H in front of an Al surface leads to energy shifts for the ground state which are very close to those obtained numerically with a more sophisticated model of the system. 相似文献
109.
朱锡雄 《宁波大学学报(理工版)》1993,(1)
以连续体的各力学守恒定律和熵函数为基础,给出了完备的变形体内参量热力学的表述框架。讨论了将热力学状态参量分划为外参量和内参量的必要性和依据,论证了热力学内参量和非弹性变形的关系以及将各种类型的非弹性应变列为内参量的数学条件。给出了考虑非弹性变形的内参量热力学基本方程,讨论了熵平衡和熵产生的关系方程和行为特性。引入两种定义的变形体自由能函数的表述方程,给出了各相应的状态方程组。 相似文献
110.