用PM3量化参数预测多氯代二苯并呋喃的logKow

从现有的PCDFs分子的正辛醇 /水分配系数 (logKow)实验数据出发 ,建立定量结构 性质关系方程(QSPR) .采用G98W程序包中的PM3方法对 13 5个多氯代二苯并呋喃 (PCDFs)分子和二苯并呋喃进行了优化计算 ,作业命令为 #pPM3optfreqscf(conver =9) ,以计算所得的分子轨道能量、碳原子电荷作为PCDFs分子结构描述符 ,运用多元线性回归技术建立了PCDFs的logKow与分子结构描述符的四元方程 ,最优相关系数为 0 .95 0 7,标准偏差为 0 .173 7,经检验该模型的稳健性好 ,并对未有实验数据的 85个PCDFs的logKow进行预测     

Decay of neutron-rich Ga isotopes near N = 50 at PARRNe

The PARRNe facility has been used to produce neutron-rich isotopes ^83,84Gaby the ISOL method. Their decay has been studied, and β-γ coincidence and γ-γ coincidence data were collected as a function of time. The first two excited levels in ⁸³Ge and the first excited level in ⁸⁴Ge have been measured for the first time.     

多目标优化发射层析算法在等离子体场光谱诊断中的应用

提出一种基于多目标优化原理的发射光谱层析(EST)图像重建新算法MCIRT.通过计算机数值 模拟，考察了该算法对非对称发射系数场分布的重建效果.结果表明，与传统层析算法相比 ，MCIRT算法具有收敛快，重建精度高的优势，适合于非完全数据情况下的等离子体发射系 数场重建，并且实时性更好.作为一个应用实例, 运用谱线相对强度法重建了自由电弧等离 子体的三维温度及粒子数密度分布. 关键词： 等离子体诊断 图像重建     

Synthesis of new terpene derivatives via ruthenium catalysis: rearrangement of silylated enynes derived from terpenoids

Enyne rearrangement of silylated modified terpenoids has been used as the key step for the synthesis of new terpenes and terpenoids. The catalytic system generated in situ from [RuCl₂(p-cymene]₂, 1,3-bis(mesityl)imidazolinium chloride and cesium carbonate is able to perform the transformation of silylated 1,7-enynes into cyclic siloxanes. Selective cleavage of the silicon-carbon and silicon-oxygen bonds by simple reactions has been performed to afford new terpenes and terpenoids by formal addition of a C5 unit.     

Study of the gas-phase parameters affecting the silicon-oxide film deposition induced by an ArF laser

A study of the gas-phase parameters involved in ArF laser induced chemical vapour deposition of silicon-oxide thin films is presented. A complete set of experiments has been performed showing the influence of the concentration of the precursor gases, N₂O and SiH₄, and their influence on total and partial pressures on film growth and properties. In this paper we demonstrate the ability of this LCVD method to deposit silicon oxide films of different compositions and densities by appropriate control of gas composition and total pressure. Moreover, a material specific calibration plot comprising data obtained using different preparation techniques is presented, allowing determination of the stoichiometry of SiO _x films by using FTIR spectroscopy independently of the deposition method. For the range of processing conditions examined, the experimental results suggest that chemical processes governing deposition take place mainly in the gas phase.     

Optical detection of NO3 and NO2 in “pure” HNO3 vapor,the liquid-phase decomposition of HNO3

Flowing and static gas-phase samples of HNO₃ in O₂ and N₂ were analyzed by long-path ultraviolet/visible (UV/VIS) spectroscopy to reveal the presence of both NO₂ and NO₃, the concentrations of which were calculated using differential absorption cross sections. NO₂ is produced predominantly by the heterogeneous decomposition of HNO₃, whereas NO₃ is generated in the gas phase by the thermal decomposition of N₂O₅, a product of the self-disproportionation of liquid HNO₃. © 1993 John Wiley & Sons, Inc.     

Differentiability of the Value Function of Nonclassical Optimal Growth Models

We consider an optimal growth (multi-sector) model with nonconvex technology. Using the Clarke results on generalized gradients, we prove that the value function has left and right derivatives with respect to the initial capital stock, without requiring supermodularity assumptions.     

Photodiffraction in InGaAs/InGaAsP multiple quantum wells enclosed in a microcavity

We report new results on the diffraction properties of photoinduced gratings in InGaAs/InGaAsP MQW structures. The original feature of this device is that the QWs are enclosed in an asymmetric Fabry–Perot microcavity in order to increase the diffraction efficiency. We observe oscillations in the diffraction efficiency due to resonant effects in the microcavity. The experimental spectra are compared with theory. Diffraction efficiency at 1.55 μm attains a maximum value of 2.7% at a write beam fluence of 260 μ J cm⁻², and then decreases at higher fluences. We explain this phenomenon by an absorption saturation at high excitation.     

磁控溅射技术制备ZnO透光薄膜

采用RF磁控溅射方法,在玻璃衬底上制备了择优取向的ZnO薄膜;通过台阶仪、X射线衍射技术、原子力显微镜和分光光度计分别测量了不同溅射功率条件下淀积的ZnO薄膜厚度(淀积速率)、结晶质量、表面形貌与粗糙度、透光光谱,报道了该薄膜结晶质量、薄膜粗糙度与其在可见光区透光率的关系.     

Integration and propagation of a multi-criteria decision making model in constraint programming

In this paper we propose a general integration scheme for a Multi-Criteria Decision Making model of the Multi-Attribute Utility Theory in Constraint Programming. We introduce the Choquet integral as a general aggregation function for multi-criteria optimization problems and define the Choquet global constraint that propagates this function during the Branch-and-Bound search. Finally the benefits of the propagation of the Choquet constraint are evaluated on the examination timetabling problem.