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.     

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.     

3S技术在土地资源管理中的应用

"3S"技术作为当前信息管理的高新技术,在土地资源管理中具有广阔的应用前景。本文在介绍RS,GIS,GPS及"3S"集成的基础上,从土地利用调查、土地利用总体规划、土地利用动态监测、土地资源评价和土地整理五个方面简要阐述了"3S"技术在土地管理中的应用,并展望了"3S"技术在土地管理中的应用前景。     

大运高速公路立体绿化模式探讨

论述了大运高速公路立体绿化的原则,探讨了大运高速公路立体绿化模式。     

构建健康网络平台的策略

阐述了当前互联网发展的状况及存在的问题,提出了构建健康网络平台的策略。     

生物滴滤塔净化中低浓度H2S气体的挂膜实验研究

本文通过对两种填料处理硫化氢气体的挂膜实验研究,表明挂膜方法、填料性能、温度、PH值、入口浓度等均影响挂膜效果与硫化氢去除率,并且得出陶粒挂膜启动时间比阶梯环快。     

作为生物探针的噻唑橙类化合物的合成及光谱性质研究

以6-甲基-2-氨基苯并噻唑为原料,合成了噻唑橙染料的一个衍生物,并比较了它与其他两种噻唑橙类染料的光谱性质,讨论了取代基的引入对于染料光谱性质的影响.结果表明,与噻唑橙相比,在分子中引入甲基后,染料的最大吸收波长发生红移;与蛋白结合后最大吸收波长红移,荧光最大波长蓝移.     

滨海盐渍型水稻土最适有机质含量的研究

滨海盐渍型水稻土是辽宁省主要农业土壤之一。主要分布在辽河下游的渤海沿岸,以营口、盘锦地区为主要代表,是我省主要粮食生产基地之一,因此,对滨海盐渍型高产水稻土最适有机质含量的研究,不论在理论上还是在生产上都有十分重要的意义。因此我们于2004、2005连续二年对盘锦鼎翔集团的盐渍型水稻土进行研究,高产田土壤最适有机质含量为2.0～3.0%,中低产田为0.4～2.12%,平均为1.36%。增加土壤有机质的积累,调节土壤有机质的转化,是培肥土壤的基本措施,是农业生产的重要任务。要维持和提高土壤有机质的水平,必须有预见性的施用各种有机物料。     

The concentration quenching characteristics of ~5D_3-~7F_J and ~5D_4-~7F_J (J=0―6) transitions of Tb~(3 ) in YBO_3:Tb~(3 ) phosphor

The photoluminescence quenching behaviors of 5D3-7FJ and 5D4-7FJ (J = 0―6) transitions of Tb3 in YBO3:Tb under 130―290 nm excitation were systematically investigated. The results revealed that the quenching concentrations of both 5D3-7FJ and 5D4-7FJ transitions of Tb3 in YBO3:Tb were mainly de-pendent on excitation wavelength. Particularly,the quenching concentrations of 5D4-7FJ transitions of Tb3 under 130―290 nm excitation were correlated with excitation bands of YBO3:Tb. The quenching concentrations of 5D3-7FJ transitions remained at low concentration (2%) under 186―290 nm excitation and then increased gradually with energy of incoming excitation photon when excited at 130―186 nm. This dependence should be involved in their excitation mechanisms and quenching pathway in particular excitation region.     

移动IPV6中的DoS和DDoS攻击分析与对策

移动IPv6由于其移动性要求而引起了一系列新的安全问题.本文着重对移动IPv6的返回路由性过程的算法进行了分析,指出该算法导致DoS和DDoS攻击的原因,并根据此过程中的攻击特性提出了一种增强的返回路由过程来防御攻击的措施.