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RTDX技术的多用户检测实验平台设计

介绍了一种基于RTDX技术的多用户检测试验平台设计方法,同时阐述了如何利用RTDX技术实现多用户检测试验平台设计的具体方法。     

射频溅射金属前驱体硫化法制备的Cu2ZnSnS4薄膜

采用射频溅射技术沉积Cu／Sn／Zn金属前驱体叠层结合硫化技术在玻璃衬底上成功制备了Cu2ZnSnS4薄膜。X-射线衍射分析表明，通过优化制备条件可以获得单一黝锡矿结构且具有（221）择优取向的Cu2ZnSnS4薄膜。霍尔效应和紫外可见透过谱测量表明，样品的薄膜电阻、吸收系数和光学带隙分别达到0．073Ω·cm，10^4cm^-1和1．53eV，具有适合作为薄膜太阳电池吸收层应用的可能性。     

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.     

用硫化物沉淀法脱除甲基紫染料中的铜

在pH为2～3的硫酸介质中,缓慢加入稀硫化钠溶液,可以将甲基紫染料中的铜含量降至1000ug/g以下.本方法工艺简单,设备投资低,试剂用量少,经济效益高,是理想的甲基紫染料生产工艺改进方法.讨论了工业生产中的废料利用及治理环境污染等问题.对该方法已成功进行了工业放大实验.     

一种求解刚体3D运动参数的鲁棒算法

提出一种基于鲁棒统计学中位数的３Ｄ运动参数估计方法，能够有效地克服由于出格点造成的粗差，并且不需任何参数初始值，整个算法计算简便，计算机模拟显示，其估计精度是令人满意的。     

水电站钢蜗壳与外围混凝土结构的受力特性研究

应用三维有限元法，结合我国龙羊峡，岩滩，宝珠寺水电站的厂房蜗壳结构，研究了钢蜗壳与外围混凝土之间设置软垫层情况下的蜗壳与外围混凝土结构的位移及应力分布规律，给出了钢蜗壳及外围混凝土结构的几个主要受力特性。     

用网络拓扑分析含受控源电路的一种系统方法

通过３个实例分析，阐明用网络拓扑分析含受控源电路的一种系统方法。     

矩形板极限承载能力的探讨

船舶及钻井平台等的上层建筑和潜水器内部平面舱壁板，大多采用弹塑性设计．考虑到这种舱壁板是一次性承载，为提高舰船或平台的承载能力，减轻重量，以提高经济性和增加有效载荷，采用屈服线分析法设计上述壁板，并从理论计算和试验两个方面对该方法进行了探讨，得到了板的极限承载能力的数据并提出了该设计方法下的安全系数．     

W_(18)Cr_4V钢真空油淬白亮层、熔化层形成原因的试验研究

W_(18)Cr_4V钢真空加热油淬后,表面出现白亮层和熔化层等异常现象。本文利用金相显微镜,显微硬度计、扫描电子显微镜和电子探针等手段对白亮层和熔化层进行了分析研究。试验表明,白亮层、熔化层均是真空油淬增碳的结果。本文对白亮层、溶化层形成原因进行了比较深入的分析探讨提出了产生白亮层必须同时具备的三个条件。