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81.
We investigate the dependence of the relaxation time of the current flowing in a nematic cell submitted to an external dc voltage on the physical properties of the substrate. We show that previously presented analyses of the same problem are not very useful for practical applications. We compare our theoretical predictions with experimental data, and show that the agreement is rather good. The influence of the adsorption-desorption phenomenon on the relaxation time is also discussed. 相似文献
82.
We study in this Note the continuum (macroscopic) limit for some atomistic models for crystals. The purpose is to derive densities of mechanical energies from microscopic models. In contrast to the setting of a previous study, where the microscopic structure was assumed to be periodic, it is modelled here by a stochastic lattice, which enjoys some stationarity and ergodicity properties, following notions previously introduced elsewhere. To cite this article: X. Blanc et al., C. R. Acad. Sci. Paris, Ser. I 342 (2006). 相似文献
83.
A series of complexes formed between halogen-containing molecules and ammonia have been investigated by means of the atoms in molecules (AIM) approach to gain a deeper insight into halogen bonding. The existence of the halogen bond critical points (XBCP) and the values of the electron density (Pb) and Laplacian of electron density (V2pb) at the XBCP reveal the closed-shell interactions in these complexes. Integrated atomic properties such as charge, energy, polarization moment, volume of the halogen bond donor atoms, and the corresponding changes (△) upon complexation have been calculated. The present calculations have demonstrated that the halogen bond represents different AIM properties as compared to the well-documented hydrogen bond. Both the electron density and the Laplacian of electron density at the XBCP have been shown to correlate well with the interaction energy, which indicates that the topological parameters at the XBCP can be treated as a good measure of the halogen bond strength In addition, an excellent linear relationship between the interatomic distance d(X…N) and the logarithm of Pb has been established. 相似文献
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85.
Tian Le LIN Bao Zhen YAN Gao Fei HU Mei WANG 《中国化学快报》2006,17(7):937-940
Complex formation between aluminium and quercetin(Q) in methanol was investigated by means of 27^Al solid-state, 13^C and 1^H NMR and MS(ESI), UV and IR spectra. Formation of the 1:2 complex was favored in methanol relative to all other solvent and the predominant species observed of Al(Ⅲ) has a 1:2 stoichiometry. The fine structure of 1:2 aluminum complex of quercetin was that the aluminum central atom chelated with two quereetin molecules and two methoxyl groups between two five membered rings, its coordination is six, the chelated site was 3-hydroxy-4-carbonyl. 相似文献
86.
M. Le Vassor D’yerville D. Monge D. Cassagne J. P. Albert 《Optical and Quantum Electronics》2002,34(5-6):445-454
We present here a tight-binding-like modelling of two-dimensional (2D) photonic crystals (PCs). Adopted from solid-state physics,
the concept of generalized Wannier functions is used to construct a localized state basis that allows a parameter-free ab
initio study of defects in PCs. We demonstrate here for a 2D triangular lattice of dielectric rods in air, the existence of
this localized basis and the possibility to study large scale complex dielectric structures deviating from periodicity. Specific
numerical simulations on a split waveguide embedded in this triangular lattice are performed, and they demonstrate the superiority
of this method over plane wave based techniques. 相似文献
87.
在40—700cm-1波数和4.2—300K温度范围内研究了不同组份液相外延n型CaAs1-xPx样品的红外反射谱。对反射谱进行了赝谐振子拟合与K-K关系计算。从而获得了有关描述CaAs1-xPx样品的光学声子模、等离子体激元、LO声子-等离子体激元耦合模的重要物理参量及红外光学常数信息。基于这些计算结果,提出了双导带谷并计及与X能谷相联系的施主能级模型,用它解释等离子体激元频率和实验观察的三支主要的耦合模的温度变化规律。
关键词: 相似文献
88.
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90.
本文对二种新合成的2,3-二羟基萘二钼和四钼多酸有机衍生物[n-Bu)4N]2[Mo2O5(OC10H6O)2](Ⅰ)和[n-Bu)4N]2[Mo4O10(OC10H6O)2(OCH3)2](Ⅱ)进行了红外光谱与核磁共振波谱研究,发现[Mo2O5]^2 中钼氧多桥键的红外振动频率较[Mo4O10(OCH3)2]^2 中钼氧多桥键的红外振动频率红移,而在配合物Ⅱ中2,3-二羟基中芳环的^1H化学位移较配合物Ⅰ中向低场移动。同时还发现含二钼配位中心[Mo2O5]^2 的[Mo2O5(OC10H6O)2]^2-与含四钼配位中心[Mo4O10(OCH3)2]^2 的[Mo4O10(OC10H6O)2(OCH3)2]^2-生成条件的差异仅仅只在反应体系的pH值的微小变化,说明钼多酸有机衍生物阴离子是对体系酸碱度极为敏感的物质。 相似文献