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91.
《Journal of Chemical Sciences》2005,117(5):525-531
The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It
has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated
compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of
the silicon atom for SiH
n
F4−n
and SiH
n
F
5−n
1−
. The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the
tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version
of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft
nucleophiles preferably react with SiH
n
F
5−n
1−
, and hard nucleophiles with SiH
n
F4−n
. 相似文献
92.
等腰三角形Mindlin板的自由振动分析 总被引:2,自引:0,他引:2
提出了一种新方法来对基于 Mindlin剪切变形理论的等腰三角形板进行自由振动分析 .此方法采用了一种新的基函数并利用 pb-2 Rayleigh-Ritz边界函数得到了一种新型的 Ritz方法 .这种方法的有效性通过收敛性和对比性分析得到了证实 .数值结果表明此方法相当精确有效 . 相似文献
93.
This article proves the existence of singular directions of value distribution theory for some transcendental holomorphic curves in the n-dimensional complex projective space Pn(C). An example is given to complement these results. 相似文献
94.
A model for the flow of a fluid through a channel with parallel plates is investigated. The channel is narrow, so that the lubrication approximation may be applied. The channel walls are maintained at a constant temperature. Shear heating effects are included and the fluid viscosity decreases exponentially with temperature. When the flow is driven solely by shear stress or imposed velocity at the top, analytical progress is possible. When pressure gradient also drives the flow the problem is solved numerically. 相似文献
95.
戴伏生 《数学的实践与认识》2006,36(2):186-192
经典的D IJKSTRA和BELLM AN-F LOYD通信网络路由算法,只能根据特定网络参数得到最佳路由,却无法获得网络存在的全部可用路由,而通信网理论研究及网络管理等方面,往往需要获得节点之间的全部可用路由.研究出一种路由新算法,遵循逻辑代数运算规则、采用关联矩阵中行与行之间整合与删除方式计算,N个节点的网络只需N-1次整合及删除运算,就能得到源节点到任意节点两点之间全部路由结果.详细论证了算法的正确性与合理性,简介了算法的并行运算可行性及与经典路由算法的兼容性等问题.通过算例详细说明算法的计算过程,并验证其正确性. 相似文献
96.
基于事前评价过程和自然界生物进化过程的相似性,提出了系统结构、系统结构模式和系统环境模式矩阵的概念,并根据系统结构、系统结构模式与系统环境模式矩阵的适应程度,建立了模式评价决策模型,制定了评价系统的评价分类准则,并对评价系统作了一定的理论分析.将此模型和方法应用于城市生态安全评价中,通过与模糊综合评价法的比较,表明了该评价模型和方法的优越性. 相似文献
97.
Magnetic properties of Co chain-coated carbon nanotube (CNT) were investigated using a first-principles calculation. Binding energy between Co chain and CNT increased with the coverage ratio, and the adsorption of Co chains on CNT enhanced the conductance channel. Total magnetic moment of Co chains coated on CNT increased with the coverage ratio, while the magnetic moment per Co atom decreased due to spin flip of majority spin states in Co atoms. Spin polarization at the Fermi level of the Co chains was calculated to converge to that of bulk fcc Co. 相似文献
98.
WU Ke ZHAO Weizhong & GUO Hanying Department of Mathematics Capital Normal University Beijing China Institute of Theoretical Physics Chinese Academy of Sciences Beijing China 《中国科学A辑(英文版)》2006,(11)
In a way similar to the continuous case formally, we define in different but equivalent manners the difference discrete connection and curvature on discrete vector bundle over the regular lattice as base space. We deal with the difference operators as the discrete counterparts of the derivatives based upon the differential calculus on the lattice. One of the definitions can be extended to the case over the random lattice. We also discuss the relation between our approach and the lattice gauge theory and apply to the discrete integrable systems. 相似文献
99.
Chen Hao 《中国科学A辑(英文版)》2006,49(5):715-720
In this paper, for the the primes p such that 3 is a divisor of p − 1, we prove a result which reduces the computation of the linear complexity of a sequence over GF(p
m) (any positive integer m) with the period 3n (n and p
m − 1 are coprime) to the computation of the linear complexities of three sequences with the period n. Combined with some known algorithms such as generalized Games-Chan algorithm, Berlekamp-Massey algorithm and Xiao-Wei-Lam-Imamura
algorithm, we can determine the linear complexity of any sequence over GF(p
m) with the period 3n (n and p
m
− 1 are coprime) more efficiently. 相似文献
100.
The plastic deformation field near the horizontal surface of a half space of perfectly plastic material associated with an indenting rotating rigid tooth is studied using slip line theory. The tooth is one of many on a roll surface and indents first into the half-space material and then rotates about the roll center. A slip line field is proposed for the deforming plastic region and a solution scheme is outlined. The emphasis is on determining the shape of the deforming region, especially that of the free surface. The study has a potential application in roughness transfer in metal forming processing. 相似文献