Theoretical study on the lithium bond interaction of furan homologues C_4H_4Y (Y=O, S) with LiCH_3 via DFT and MP2

The optimizations geometries and interaction energy corrected by BSSE of the complexes between C4H4Y (Y=O, S) and CH3Li have been calculated at the B3LYP/6-311 G** and MP2/6-311 G** levels. Three complexes were obtained. Abnormally, the calculations showed that all the C10—Li14 bond lengths increased obviously but the blue-shift of C10—Li14 stretching frequency occurred after formed complexes. The calculated binding energy with basis set super-position error (BSSE) and zero-point vibrational energy corrections of complexes I―III is ?45.757, ?35.700 and ?39.107 kJ·mol?1, respectively. The analyses on the combining interaction with the atom-in-molecules theory (AIM) also showed that a relatively strong lithium bond interaction presented in furan homologues C4H4Y---LiCH3 systems. Natural bond orbital theory (NBO) analysis has been performed, and the results revealed that the com- plex I is formed with n-σ type lithium bond interaction between C4H4O and LiCH3, complex II is formed with π-s type lithium bond interaction between C4H4O and LiCH3, and complex III is formed with π-s and n-s type lithium bond interactions between C4H4S and LiCH3, respectively.     

依托课外科技文化活动,培养大学生的创新能力——本科教学《评估方案》中两观测点之实证研究

通过解读《普通高等学校本科教学工作水平评估方案（试行）》中的两个观测点——“课外科技文化活动”和“学生的创新精神与实践能力”，探讨了重庆文理学院近年来在这些观测点所做的努力．以此证明，开展课外科技文化活动是培养大学生创新能力的重要途径．     

A Novel Polymethyl Methacrylate （PMMA）TiO2 Nanocomposite and Its Thermal and Photic Stability

A new kind of polymethyl methacrylate （PMMA）-TiO2 nanocomposite was synthesized through polymerization. The thermal and photic stability of this PMMA TiO2 nanocomposites were investigated. The as prepared samples were characterized by scanning electron microscopy （SEM）, UV-Vis spectroscopy, differential thermal analysis （DTA） and the photo-induced weight loss, The results show that the photostability of the PMMA-TiO2 nanocomposite is higher than that of the pure PMMA under UV-light irradiation, The weight loss of the pure PMMA reaches 30 % after 300 h UVirradiation, while the composite only 0.3% under the identical experimental condition. The glass transition temperature （TR） of pure PMMA is only 80℃, while the Tg of the composite reaches 258℃. Compared with pure PMMA, the thermal stability of the composite is greatly enhanced.     

信息不对称下企业并购信号传递博弈模型研究

根据企业并购中的信息不对称现象,结合不完全信息动态博弈及信息经济学的有关理论,建立了目标企业与并购企业之间的信号传递博弈模型,并进行了实例分析,结果表明,目标企业所发出的信号能够反映出目标企业的真实质量,尽管并购企业不能直接观察到目标企业的价值,但可以通过观测目标企业发出的信号来判断目标企业的预期价值水平,并据此作出正确的并购行为.     

Why-问题与科学解释

从亨佩尔开始，人们就把解释和Why一问题紧密的联系起来，其实解释不能简单地看成对Why—问题的回答，Why—问题也需要进一步的阐释。我们尝试对Why—问题的两种不同的分析方法——命题理论和对照理论进行阐释和评论。揭示两种方法的同并之处。基于学术界普遍认为对照理论优于命题理论的状况，本文着力反驳了对照理论，得出了对照理论未必优于命题理论的结论。     

原子光谱线变宽的因素分析

分别从经典理论和量子理论的不同角度论述了使原子光谱线变宽的各种主要因素:由于能量的不确定关系导致的自然致宽;多普勒致宽;碰撞致宽;因碰撞过程中原子能级变化而导致的压力致宽、场致宽等.通过分析,阐明了实际光谱线与理想光谱线的不同及其原因.     

r序同态与r开集在子拓扑空间中的性质

提出了r不定序同态、r连续序同态、r开序同态并讨论了它们之间的相互关系,得出了LF-r开集在开子空间中仍是LF-r开集,两个LF拓扑空间之间序同态r连续的充要条件等结论。     

综合(指导)类科技期刊发展现状及对策思考

文章分析了目前我国综合(指导)类科技期刊存在的主要问题,提出了综合(指导)类科技期刊要走出困境必须采取的对策措施。     

基于决策树方法的银行客户信用评估

分析了传统银行客户信用评估方法存在的问题,针对ID3算法存在的不足,提出了一种改进的ID3算法.实验结果表明,改进后的ID3算法分类正确率有所提高,所生成的决策树较为健壮、简洁,可以减少计算代价,提高计算效率.     

一种高精度低功耗流水线ADC开关电容电路

提出一种新的电容失配校正方案及功耗驱动的OTA设计思路,通过对虚地电容的修正,将电容失配因子在取样保持系统中去除,达到提高电容匹配程度,降低OTA增益误差的要求,使开关电容部分的瞬态功耗下降.本文采用TSMC 0.18μm工艺设计了一个8位,取样速率为200MHz的流水线结构模数转换器作为验证电路,仿真结果说明此优化结构符合高精度和低功耗要求,可应用到流水线等高速模数转换电路中作为信号前端处理模块使用.