Spin polarization effect for Tc2 molecule

Density functional method (DFT) (B3p86) of Gaussian98 has been used to optimize the structure of the Tc_2 molecule. The result shows that the ground state for Tc_2 molecule is an 11-multiple state and its electronic configuration is {}^{11}Σ_g^-, which shows the spin polarization effect of Tc_2 molecule of a transition metal element for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions of higher energy states. So, that the ground state for Tc_2 molecule is an 11-multiple state is indicative of the spin polarization effect of Tc_2 molecule of a transition metal element: that is, there exist 10 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Tc_2 molecule is minimized. It can be concluded that the effect of parallel spin of the Tc_2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state {}^{11}Σ_g^- and other states of Tc_2 molecule are derived. Dissociation energy D_e for the ground state of T_{c2} molecule is 2.266eV, equilibrium bond length R_e is 0.2841nm, vibration frequency ω_e is 178.52cm^{-1}. Its force constants f_2, f_3, and f_4 are 0.9200aJ·nm^{-2}, --3.5700aJ·nm^{-3}, 11.2748aJ·nm^{-4} respectively. The other spectroscopic data for the ground state of Tc_2 molecule ω_eχ_e, B_e, α_e are 0.5523cm^{-1}, 0.0426cm^{-1}, 1.6331×10^{-4}cm^{-1} respectively.     

毛细管气相色谱法测定中药中有机氯农药残留量

建立了江西省两种中药中有机氯农药残留量的气相色谱分析方法。样品以丙酮提取,在NaCl存在下,以正已烷进行液—液分配,提取液用H2SO4净化,采用DB—1701毛细管柱,GC—ECD检测有机氯农药残留量。最低检测限为1.0×10-3-5.0×10-3mg/kg,添加回收率为85.7%-115.2%,应用于实际样品中有机氯农药残留量的检测,获得了较为满意结果。     

双氯芬酸钠与牛血清白蛋白结合反应的特征

在模拟人体生理条件下,采用荧光光谱和紫外 可见吸收光谱法研究了双氯芬酸钠与牛血清白蛋白的结合反应.实验结果显示,双氯芬酸钠对牛血清白蛋白有较强的荧光猝灭作用,该猝灭过程主要为静态荧光猝灭过程;二者结合常数KLB=2.167×105mol·L-1;二者的结合位置距212位色氨酸2.13nm;同时,由结合反应的热力学参数得出二者作用力主要是氢键或VanderWall's力.     

医学文稿实用性的审读

从编辑的角度对医学文稿实用性的审读内容和方法作初步探讨，认为“效、数、简、廉’’是医学文稿(主要是临床类医学文稿)实用性的具体体现，指出编辑不妨从“效、数、简、廉’’入手，对医学文稿的实用性作初步审读．     

数字全息图变频采样研究

根据Whittaker-Shannon抽样定理,对菲涅耳全息图进行变频率采样,保证整个全息图各部分采样频率为该处相应空间频率的两倍,从而完全消除数字全息图由于采样冗余而带来全息图的信息冗余.并且,对变频采样后的全息图进行线性插值恢复即可获得良好的再现像质.实验和理论均证明了该方法的有效性和可行性,为全息图的信息存贮与传输提出一条新的思路.     

基于CAPPFramework的CAPP系统的开发与应用

在国家863CIMS目标产品CAPPFramework系统的基础上，研究了面向对象的信息建模技术、信息模型驱动的所见即所得工艺设计技术、工作流技术．并在此基础上进行集成化、智能化计算机辅助工艺设计(CAPP)的应用与开发，实现了工艺设计的自动化，基本达到了在信息集成基础上的工艺设计与工艺信息管理一体化的目的，对企业的CAPP实施具有一定的参考价值．     

一种小波域音频信息隐藏方法

提出了一种基于量化的小波域音频隐藏算法，将保密语音隐藏到载体音频中．为提高隐藏重和保密语音传输的安全性，对保密语音进行了小波域压缩编码和m序列的扩频调制，生成待隐藏的比特序列；通过量化方法，将编码和调制后的保密语音隐藏到载体音频的小波系数中；保密语音的恢复过程不需要使用原始音频、仿真结果表明，隐藏有保密语音的载体音频听觉质量没有明显下降，提取的保密语音感知质量较好；该算法对重量化、加噪、低通滤波等攻击均有良好的鲁棒性．     

热致型胆甾酯液晶的相变研究

使用偏光显微镜观察胆甾烯壬酸酯液晶的相变，发现在不同的温度变化条件下液晶相变过程是不同的．本文讨论了其变化规律．     

GM(1,1)的周期修正模型及其在泉水流量预测中的应用

本文阐述了 GM( 1 ,1 )的残差周期修正模型 ,并将它应用于山西神头泉的流量预测中 ,建立了神头泉流量的 GM( 1 ,1 )周期修正模型 ,对其流量进行了预测 ,为神头泉域岩溶水资源开发利用和保护提供了科学依据     

A universal method for camera calibration in UITS scenes

A universal approach to camera calibration based on features of some representative lines on traffic ground is presented. It uses only a set of three parallel edges with known intervals and one of their intersected lines with known slope to gain the focal length and orientation parameters of a camera. A set of equations that computes related camera parameters has been derived from geometric properties of the calibration pattern. With accurate analytical implementation, precision of the approach is only decided by accuracy of the calibration target selecting. Final experimental results have showed its validity by a snapshot from real automatic visual traffic surveillance (AVTS) scenes.