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61.
L. J. Yamí n S. E. Blanco J. M. Luco F. H. Ferretti 《Journal of Molecular Structure》1997,390(1-3):209-215
The isomerization mechanism of 2′(OH)chalcone (1) in flavanone (2) was studied. The calculations were performed with the semiempirical method AM1, using totally optimized molecular geometries. A 6-step mechanism including several equilibrium states was proposed. It was concluded that: (a) At the conformational equilibrium of 1 there could be 43.9% of s-cis conformer; (b) The acid dissociation of 1 trans-s-trans is considerable; (c) The EE, ΔHf and net charges show that the rotation of ring A of 1 and the formation of ring C of 2 occurs without greater impairments; (d) Although the keto structure is the most stable one, the enolate of 2 is present in the reaction medium; (e) The conversion of enol of 2 in the keto form would be the limiting step of the analyzed isomerization rate. 相似文献
62.
Details are given of a new method allowing an exact calculation of the spontaneous magnetization in the corner as well as along the edge at an arbitrary distance of the corner for a rectangular planar Ising ferromagnet. 相似文献
63.
After carefull analysis in a turbulent zero-pressure gradient flow, various simple algebraic turbulence models were applied to the almost separated flow on the upperside of an airfoil at incidence. The Johnson-King and Horton non-equilibrium (or rate equation) models give clearly improved results. 相似文献
64.
S. Chen H. Büttner 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,29(1):15-18
We generalize the Shastry-Sutherland model to three dimensions. By representing the model as a sum of the semidefinite positive
projection operators, we exactly prove that the model has exact dimer ground state. Several schemes for constructing the three-dimensional
Shastry-Sutherland model are proposed.
Received 20 February 2002 / Received in final form 27 May 2002 Published online 17 September 2002 相似文献
65.
To improve aircraft crash safety, conditions critical to occupants survival during a crash must be known. In view of the importance of this problem, studies of post-crash dynamic behavior of victims are necessary in order to reduce severe injuries. In this study, crash dynamics program SOM-LA/TA, incorporating a dynamic model of the human body with a finite element model of the seat structure was used. Modifications were performed in the program for reconstruction of an occupant's head impact with the interior walls or bulkhead. A viscoelastic-type contact force model was used to represent the compliance characteristics of the bulkhead. Correlated studies of analytical simulations with impact sled test results were accomplished. A parametric study of the coefficients in the contact force model was then performed in order to obtain the correlations between the coefficients and the Head Injury Criteria. A measure of optimal values for the bulkhead compliance and displacement requirements was thus achieved in order to keep the possibility of a head injury as little as possible. This information could in turn be used in the selection of suitable materials for the bulkhead, instrument panel, or interior walls of an aircraft. 相似文献
66.
Richard O. LaMaire 《Queueing Systems》1992,11(4):357-375
We define and analyze anM/G/1/N vacation model that uses a service discipline that we call theE-limited with limit variation discipline. According to this discipline, the server provides service until either the system is emptied (i.e. exhausted) or a randomly chosen limit ofl customers has been served. The server then goes on a vacation before returning to service the queue again. The queue length distribution and the Laplace-Stieltjes transforms of the waiting time, busy period and cycle time distributions are found. Further, an expression for the mean waiting time is developed. Several previously analyzed service disciplines, including Bernoulli scheduling, nonexhaustive service and limited service, are special cases of the general varying limit discipline that is analyzed in this paper. 相似文献
67.
In this paper various ensemble learning methods from machine learning and statistics are considered and applied to the customer choice modeling problem. The application of ensemble learning usually improves the prediction quality of flexible models like decision trees and thus leads to improved predictions. We give experimental results for two real-life marketing datasets using decision trees, ensemble versions of decision trees and the logistic regression model, which is a standard approach for this problem. The ensemble models are found to improve upon individual decision trees and outperform logistic regression. 相似文献
68.
69.
工况图在热电厂的设计和运行中具有广泛的用途。本文根据引进型双抽非再热200MW供热机组的技术特点,通过编程在纯凝汽工况、单抽工业抽汽工况、单抽采暖抽汽工况和双抽供热等典型变工况计算的基础上,完成了当新蒸汽负荷、工业抽汽负荷和采暖抽汽负荷发生改变时的变工况计算,并绘制了该机组的运行工况图. 相似文献
70.
Sedimentation and erosion processes in sedimentary basins can be modeled by a parabolic equation with a limiter on the fluxes and a constraint on the time variation.This limiter happens to satisfy a stationary scalar hyperbolic inequality,within a constraint,for which the authors prove the existence and the uniqueness of the solution.Actually,this solution is shown to be the maximal element of a convenient convex set of functions.The existence proof is obtained thanks to the use of a numerical scheme. 相似文献