Binding energy and fine structure of the He- ion

The variational method using a multiconfiguration wavefunction is carried out on the core-excited state 1s2s2p 4P0 for helium negative ion,including mass polarization and relativistic corrections.Binding energy and fine structure are reported.The results are compared with other theoretical and experimental date in the literature.     

Boundary Quantum Entanglement of the XXZ Spin Chain with Boundary Impurities

The boundary quantum entanglement for the s = 1/2 X X Z spin chain with boundary impurities is studied via the density matrix renormalization group （DMRG） method. It is shown that the entanglement entropy of the boundary bond （the impurity and the chain spin next to it） behaves differently in different phases. The relationship between the singular points of the boundary entropy and boundary quantum critical points is discussed.     

Wittig反应在天然产物合成中的应用

综述了近十年来Wittig反应、Wittig－Horner反应及其它类型Wittig反应在天然产物合成中的应用。参考文献33篇。     

New Exact Solutions of the N-Coupled Nonlinear Schroedinger System

In this letter, abundant families of Jacobi elliptic function envelope solutions of the N-coupled nonlinear Schroedinger （NLS） system are obtained directly. When the modulus m → 1, those periodic solutions degenerate as the corresponding envelope soliton solutions, envelope shock wave solutions. Especially, for the 3-coupled NLS system, five types of Jacobi elliptic function envelope solutions are illustrated both analytically and graphically. Two types of those degenerate as envelope soliton solutions.     

小波分析技术在GPS数据预处理中的应用

将小波分析技术应用于数据预处理,利用小波变换对GPS位观测值进行小波分解,可将GPS观测值分解为不同的频率成分,通过一定尺度上的带通滤波器进行滤波,就可以将特定的频率成分提取出来,而将其它成分滤去,从而有效地消除或削弱多路径效应及观测噪声的影响,提高GPS数据处理的精度.并运用Matlab语言进行了编程实现,对比不同基线长度下小波变换前后的预处理精度估值可知,经小波变换后的精度估值有了一定提高,表明了该方法的有效性与可行性.     

碱金属助剂对 Au-Pt/CeO2 催化剂催化水煤气变换反应活性的影响

 制备了碱金属 M (M = Na, K, Rb 和 Cs) 掺杂的 Au-Pt/CeO2 催化剂, 考察了其催化水煤气变换反应的活性, 并采用 X 射线衍射、H2 程序升温还原、紫外-可见漫反射光谱和 X 射线光电子能谱技术研究了 K 助剂对 Au-Pt/CeO2 催化剂结构和表面性质的影响. 结果表明, 添加少量电负性较低的 K 虽然使 Pt 的还原变得困难, 但有利于 Au 金属态的稳定, 并使催化剂表面 Ce3+ 富集而产生氧空位, 显著提高了 Au-Pt/CeO2 催化剂活性. 当 K 负载量为 0.025%, 反应温度 250 oC 时, CO 转化率可达 95%.     

酸性功能化离子液体催化“一锅法”合成酰胺烷基萘酚

用磺酸型离子液体1-甲基-3-磺酸丙基咪唑硫酸氢盐([MIMPS][HSO₄])催化β-萘酚、芳香醛和酰胺（或脲）3组分“一锅法” 类Ritter反应合成了酰胺烷基萘酚。 投料比为n(β-萘酚)∶n(芳香醛)∶n(酰胺或脲)∶n([MIMPS][HSO₄])=1∶1∶1.3∶0.1,无需溶剂,恒温125 ℃反应5～40 min,通过简单水洗抽滤即可分离产物,酰胺烷基萘酚产率为85%～97%。 离子液体[MIMPS][HSO₄]可回收重复使用4次,其催化活性无明显降低。 探讨了醛、酰胺或脲结构对反应的影响及可能的反应机理。     

过渡金属卤化物改性非碳基吸附剂脱汞研究

以6种大比表面积非碳基成分为载体,经过渡金属卤化物改性处理后制成汞吸附剂,并对其不同烟气气氛和温度下的汞吸附性能及汞氧化率进行了研究。CuCl_2改性氧化铝在各种烟气条件下均表现出较好的汞吸附性能。FeCl_3改性沸石的汞脱除率相对略低,但它制作成本较低。这两种非碳基吸附剂在未来有较好的应用前景。改性吸附剂的最适宜反应温度100～200℃。     

Computational investigation on 2,6-diamino-3,5-dinitropyridine-1-oxide crystal

Density functional theory calculations were performed on crystalline 2,6-diamino-3,5-dinitropyridine-1-oxide (ANPyO). The conduct bands are generally quite flat, while the valence bands are uneven. The carbon, oxygen and amino nitrogen atoms make up the narrow lower energy levels. While the carbon, amino nitrogen and atoms in nitro group make up the higher energy levels. Change of electronic charges for the decrease of the cell edge a and c are almost the same, but different from the decrease of the cell edge b, indicating an anisotropic effect related to compressions. The C-Nitro and the N–O (N-oxide) bonds are the weakest, and tend to rupture upon external stimulation. The Mulliken population for the N–O (N-oxide) bond in crystal is much smaller than that in molecule, indicating that the molecular packing weakens this bond. Judged by the fact of N–O (N-oxide) bond being weaker than C-Nitro bond, ANPyO is sensitive to mechanic impact than 1,3,5-triamino-2,4,6-trinitrobenzene, which is in good agreement with experiment. The crystal lattice energy is predicted to be −166.03 kJ/mol, after being corrected for basis set superposition error.