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121.
使用分子图形软件设计出多种CnP-4(n =1~ 7)的结构模型 ,并进行B3LYP密度泛函几何构型优化和振动频率计算 .最稳定的CP-4和C2 P-3 都是平面环状结构 .最稳定的CnP-4(n =3 ,5 ,7)结构在直碳链的一端连接 1个磷原子且另一端是P3 C的四元环的平面结构 .最稳定的CnP-4(n =4,6)结构在直碳链的一端连接 1个磷原子且另一端是P3 的三元环的锄状结构 .直碳链可与平面环的磷原子生成大π键 .大多数构型是由C2 ,C3 ,C4子结构以环状或链状方式组成的 .碳原子与磷原子以交替方式排列的结构数量少、能量高 . 相似文献
122.
Hui Zhang 《Journal of solid state chemistry》2004,177(3):772-780
A nano-scale magnetic solid base catalyst MgAl-OH-LDH/MgFe2O4 (where LDH denotes layered double hydroxide) composed of MgAl-OH-LDH Brønsted base catalytic layers coated on MgFe2O4 spinel cores has been prepared. A magnetic precursor MgAl-CO3-LDH/MgFe2O4 was prepared by a method involving separate nucleation and aging steps, and subsequently calcined to give a mixed metal oxide composite MgAl(O)/MgFe2O4 which was rehydrated to give MgAl-OH-LDH/MgFe2O4. The structure and magnetic properties of the nano-scale magnetic solid base MgAl-OH-LDH/MgFe2O4, together with those of the magnetic precursor MgAl-CO3-LDH/MgFe2O4 and MgFe2O4 were characterized by XRD, XPS, low temperature N2 adsorption and vibrating sample magnetometry (VSM). The MgAl-OH-LDH/MgFe2O4 composite possesses a mesoporous structure with pore size ranging from 2 to 20 nm with particle size mainly in the range 35-130 nm. The catalytic properties of MgAl-OH-LDH/MgFe2O4 were evaluated using the self-condensation of acetone at 273 K as a probe reaction. The results showed that the conversion of acetone to diacetone alcohol reached the thermodynamic equilibrium value of 23% at 273 K. The catalyst was easily recovered through application of an external magnetic field, and when the reclaimed catalyst was used in a second run for the same reaction, the reactivity remained unchanged. 相似文献
123.
We propose a minimum mean absolute error linear interpolator (MMAELI), based on theL
1 approach. A linear functional of the observed time series due to non-normal innovations is derived. The solution equation
for the coefficients of this linear functional is established in terms of the innovation series. It is found that information
implied in the innovation series is useful for the interpolation of missing values. The MMAELIs of the AR(1) model with innovations
following mixed normal andt distributions are studied in detail. The MMAELI also approximates the minimum mean squared error linear interpolator (MMSELI)
well in mean squared error but outperforms the MMSELI in mean absolute error. An application to a real series is presented.
Extensions to the general ARMA model and other time series models are discussed.
This research was supported by a CityU Research Grant and Natural Science Foundation of China. 相似文献
124.
125.
Gwang Hui Kim 《Journal of Mathematical Analysis and Applications》2004,299(2):375-391
In this paper we investigate a generalization of the Hyers-Ulam-Rassias stability for a functional equation of the form f(φ(X))=?(X)f(X)+ψ(X) and the stability in the sense of Ger for the functional equation of the form f(φ(X))=?(X)f(X), where X lie in n-variables. As a consequence, we obtain a stability result in the sense of Hyers-Ulam-Rassias, Gǎvruta, and Ger for some well-known equations such as the gamma, beta, and G-function type's equations. 相似文献
126.
LI Na ZHAO Degang & YANG Hui State Key Laboratory on Integrated Optoelectronics Institute of Semiconductors Chinese Academy of Sciences Beijing China 《中国科学G辑(英文版)》2004,47(6):694-701
Because of their large band-gap, large high-field electron velocity, large breakdownfield, and large thermal conductivity, GaN and its heterojunction with AlGaN and InGaNhave foreseeable potential in the applications of high-power/temperature electronics, andoptoelectronic devices operative in UV and visible wavelength. Polarization inducedelectric field can reach the magnitude of ~MV/cm[1,2]. For AlGaN/GaN based FETs theconcentration of sheet carrier induced by polarization in the cha… 相似文献
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