Ar2H+ 分子振动光谱的理论计算

基于近期由本组提供的Ar2 H+ 分子的基态势能面 ,应用含时波包演化方法 ,计算了总角动量J =0时的振动光谱 ,并对其中的一些谱峰进行了指认 .与现有的abinitio结果进行比较 ,这个新势能面包含了关于Ar2 H+ 基态的比较正确的信息     

非光滑多目标规划的不动点算法(英)

本文讨论不动点算法在非光滑多目标规划中的应用，得到了一些新的最优性条件以及不动点与非光滑多目标的解之间的关系，并且给出了解非光滑多目标规划的不动点算法的收敛性．     

Hamilton体系与与弹性力学Saint－Venant问题

本文一改传统的在Ｌａｇｒａｎｇｅ体系欧几里德空间中用半道法讨论Ｓａｉｎｔ－Ｖｅｎａｎｔ问题的方法，而在具有守恒性的Ｈａｍｉｌｔｏｎ体系中辛空间里研究该问题．通过讨论Ｈａｍｉｌｔｏｎ算子矩阵的零本征值及其Ｊｏｒｄａｎ型，直接求解出全部Ｓａｉｎｔ－Ｖｅｎａｎｔ问题的解．     

6─或8─脂代─7─氧香豆素与二氢呋喃香豆素的NMR，MS研究

对从重齿毛当归（ＡｎｇｅｌｉｃａｐｕｂｅｓｃｅｎｓＭａｘｉｍｆ．ｂｉｓｅｒｒａｔａＳｈａｎｅｔＹｕａｎ）根及根茎中分得的１２种６－或８－脂代－７－氧－香豆素和８种二氢呋喃香豆素衍生物进行了１Ｈ和１３ＣＮＭＲ分析研究．结合文献．做出规律性总结．运用２ＤＮＭＲ技术．对文献中当归醇类化合物碳谱中的个别错误归属给予了纠正，并首次探讨了此类化合物的ＭＳ裂解途径．     

Second-Order Smoothing Objective Penalty Function for Constrained Optimization Problems

In this article, a novel objective penalty function as well as its second-order smoothing is introduced for constrained optimization problems (COP). It is shown that an optimal solution to the second-order smoothing objective penalty optimization problem is an optimal solution to the original optimization problem under some mild conditions. Based on the second-order smoothing objective penalty function, an algorithm that has better convergence is introduced. Numerical examples illustrate that this algorithm is efficient in solving COP.     

图的Smarandachely邻点无圈边色数的一个上界

提出了图的Smarandachely邻点无圈边染色的概念,讨论了图的Smarandachely 邻点无圈边染色与邻点可区别无圈边染色之间的关系,并运用概率方法得到了图G的Smarandachely邻点无圈边色数的一个上界,其中G为无孤立边的图.     

Optimisation of ultrasound assisted extraction of phenolic compounds from Sparganii rhizoma with response surface methodology

The present study reports on the extraction of phenolic compounds from sparganii rhizome. Box–Behnken Design (BBD), a widely used form of response surface methodology (RSM), was used to investigate the effect of process variables on the ultrasound-assisted extraction (UAE). Three independent variables including ethanol concentration (%), extraction time (min) and solvent-to-material ratio (mL/g) were studied. The results showed that the optimal UAE condition was obtained with an ethanol concentration of 75.3%, an extraction time of 40 min and a solvent-to-material ratio of 19.21 mL/g for total phenols, and an ethanol concentration of 80%, an extraction time of 33.54 min and solvent-to-material ratio of 22.72 mL/g for combination of ρ-hydroxybenzaldehyde, ρ-coumaric acid, vanillic acid, ferulic acid, rutin and kaempferol. The experimental values under optimal conditions were in good consistent with the predicted values, which suggested UAE is more efficient process as compared to solvent extraction.