硝基麝香香气化合物结构与香气性能关系的量子化学研究

ＡＭ１法计算结果表明，４个麝香香气合物的晶体结构与其最稳定结构符合得相当好。以稳定结构为基础研究总结其典型结构特征，用麝香香气分子共平面模型对其香气性能作了合理解释。     

中外零售商中国市场互动关系的演化博弈分析——以大商与沃尔玛为例

在经济全球化大背景下,中外零售企业长期共存、共同发展的局面将会是中国零售市场的现实状况.对中外零售商的互动博弈进行深入剖析,将有助于更好地把握中外零售商的竞争态势,制定促进本土零售商持续发展的合理战略.基于演化博弈论构建模型,并以大商集团和沃尔玛为例,尝试性地对中外零售商之间的互动关系进行了分析,从而得出结论:中外零售商之间存在着较为复杂的互动关系,双方是合作还是竞争取决于市场环境、合作成本、合作收益以及各自的发展战略等多方面因素.     

一种新的拓扑指数用于手性化合物的构效关系研究

为了研究羟酸类和氨基酸类手性化合物的构效关系,本实验引进了手性乘积算法:P＝(1-b/a)(1-c/b)(1-a/c)(1-a/d),其中a、b、c和d分别为与分子中手性中心碳原子4个不同连接片断手性eAm指数和分子连接性指数mx的计算值,并考察了所得参数与羟酸类和氨基酸类化合物手性薄层色谱保留指数的相关性.为了评定所得预测模型的稳定性,文中运用了交叉验证法.结果表明,由人工神经网络方法(BP法)所得数学模型比较稳定,且明显优于多元回归分析结果.     

Recent advances in photofunctional polymorphs of molecular materials

Crystalline polymorph is an intriguing phenomenon that the presence of multiple packing and aggregate architectures of the same molecular system.In this review,we focus on the recent progress in various feasible methods of molecule-based crystalline polymorphism growth,their adjustable photofunctional properties and multifunctional applications,which will help to illustrate the structure-property relationship.     

应用Markov链方法分析销售策略

本简单地分析了销售的过程，利用认知心理得到的销售状态指标和Markov链在Pfeifer工作的基础上建立的客户关系模型，对几种不同的销售策略进行了比较。分析结果表明，在与客户关系不好的情况下．采用先改善与客户的关系、后实施销售活动效果比直接销售好些。     

Structure–property relationship of photoactive liquid crystalline polyethers containing benzylidene moiety

A series of main chain photoactive liquid crystalline polyethers, containing rigid bisbenzylidene photoactive mesogen and flexible methylene spacers, were synthesized by polycondensation of bisbenzylidene diols and dibromoalkanes. The polyethers were characterized with ¹H NMR, gel permeation chromatography (GPC), differential scanning calorimeter (DSC), thermo gravimetric analyzer (TGA), and polarized light optical microscopy. The individual and combined effects of spacer length and number of methoxy substituents on mesogenic and photoactive properties were investigated. Both first order and second order transition temperatures decreased with increased spacer length and the number of substituents. The combined effect of spacers and substituents drastically reduced the transition temperatures. All monomers and polymers showed mainly the smectic mesophase. In a few cases, nematic droplets along with the smectic phase were observed. The width of the liquid crystalline phase reduced with an increasing number of methoxy substituents on mesogenic unit. Variation of spacer length has a negligible effect on photocycloaddition. However, steric hinderance caused by the substituents decreased the photoactivity as the number of substituents increased. Total energies of crosslinked dimers calculated from modeling studies supported the above findings. Intermolecular photocycloaddition was also confirmed by photoviscosity measurement. The refractive index change was found to be in the range of 0.017–0.031. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 2143–2155, 2009     

“薄膜即是界面，界面即是薄膜”：二维有机半导体晶体的研究进展

自首次于聚乙炔发现导电现象以来,具有共轭结构的有机半导体材料赖其种类丰富多样、 制备工艺简捷低耗、以及优异的机械柔性等特点,在“后硅时代”中有望以先进光电子设备展现 其广阔前景,因而多年来备受学界和产业界的瞩目。如何进一步阐明有机半导体中结构和性能之 间的关系,探索电荷载流子微观动力学行为,构筑高性能、新功能的有机光电子器件,是当下有 机电子学领域的前沿核心问题,也是保证其持续发展的基石。近年来,二维有机半导体晶体材料 在秉持高度有序的分子排列与极低的杂质缺陷浓度等优点的同时,更是以“薄膜即是界面、界面 即是薄膜”为一帜,克服传统体材料在研究与应用中的瓶颈,为揭示材料构性关系及其中基本物 理过程提供了良好的平台,也是实现多样化的新型有机光电子器件的理想材料,有望为微纳电子 领域带来新一轮变革。本文从二维有机半导体晶体的制备工艺、电荷载流子微观动力学行为,再 到新型器件的光电功能应用等方面,综述了最新研究进展,做出总结和展望,并提出目前面临的 挑战及未来研究方向,旨在为进一步深入理论研究,结合有机材料与先进技术,推动有机电子学 的发展提供有益帮助。