Ab initio multi-reference configuration interaction of the low-lying states of the AsP molecule

Nine low-lying electronic states of the AsP molecule, including Σ , Ⅱ, and △ symmetries with singlet, triplet, and quintet spin multiplicities, are studied using multi-reference configuration interaction method.The potential energy curves and the spectroscopic constants of these nine states are determined, and compared with the experimental observed data as well as other theoretical works available at present.Three quintet states are reported for the first time.Furthermore, the analytical potential energy functions of these states are fitted using Murrell-Sorbie function and least square fitting method.     

一种空时盲自适应RAKE接收机

多址干扰是直扩码分多址系统中的一个主要问题.多用户检测技术和阵列天线已成为解决这一问题的两种主要方法,将这两种方法结合起来的空时处理能大大提高系统的容量和性能.本文提出了一种空时盲自适应RAKE接收机.研究结果表明,该接收机具有较强的抑制多址干扰和克服"远-近"效应的能力,且能快速收敛.     

Further results on the maximum size of a hole in an incomplete t‐wise balanced design with specified minimum block size*

Kreher and Rees 3 proved that if h is the size of a hole in an incomplete balanced design of order υ and index λ having minimum block size , then, They showed that when t = 2 or 3, this bound is sharp infinitely often in that for each h ≥ t and each k ≥ t + 1, (t,h,k) ≠(3,3,4), there exists an ItBD meeting the bound. In this article, we show that this bound is sharp infinitely often for every t, viz., for each t ≥ 4 there exists a constant C_t > 0 such that whenever (h ? t)(k ? t ? 1) ≥ C_t there exists an ItBD meeting the bound for some λ = λ(t,h,k). We then describe an algorithm by which it appears that one can obtain a reasonable upper bound on C_t for any given value of t. © 2002 Wiley Periodicals, Inc. J Combin Designs 10: 256–281, 2002; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/jcd.10014     

Well-defined enantiopure 1,1'-binaphthyl-based oligomers: synthesis,structure, photophysical properties,and chiral sensing

A series of well-defined enantiopure 1,1'-binaphthyl-based oligomers linked through their 6,6'-positions, ranging from quaternaphthol to decanaphthol, have been synthesized by Suzuki and Stille coupling reactions. These novel oligonaphthyls have been characterized by (1)H and (13)C[(1)H] NMR spectroscopy and high-resolution mass spectrometry. A combination of X-ray structural and CD studies suggests that these oligonaphthyls adopt zigzag but not helical conformations. As the chain length increases, the compounds show enhanced fluorescence. The fluorescence intensity of oligonaphthols is almost 2 orders of magnitude higher than that of 1,1'-bi-2-naphthol and can be effectively and enantioselectively quenched with trans-1,2-diaminocyclohexane with an enantioselectivity factor of 1.24. The present work thus demonstrates the potential of constructing chiral sensory materials based on well-defined enantiopure oligonaphthols.     

Interlocking of molecular rhombi into a 2D polyrotaxane network via pi-pi interactions. Crystal structure of [Cu2(bpa)2(phen)2(H2O)]2.2H2O (bpa2- = biphenyl-4,4'-dicarboxylate,phen = 1,10-phenanthroline)

In the solid state, interlocking of the lateral phen ligands at the acute angle sites of the molecular [Cu2(bpa)2-(phen)2(H2O)]2 rhombi via aromatic pi-pi stacking interactions into the cavities of the adjacent rhombi generates laminated polyrotaxanes that are further assembled into a 3D network via similar interactions between the phen ligands at the obtuse angle sites.     

Analysis of 13C-mixed triacylglycerol in stool by bulk (EA-IRMS) and compound specific (GC/MS) methods

This paper was presented in poster form at the 17th International Congress of Nutrition, August 27-31, Vienna, Austria (Annals of Nutrition & Metabolism 2001; 45(Suppl.1):349). Some of the data were also presented in poster form at the British Society of Gastroenterology Meeting, March 18-21, Glasgow, UK (Gut 2001; 48(Suppl.1):A91). The 13C-mixed triacylglycerol (MTG) breath test is used to measure intraluminal fat digestion. In normal digestion, 20-40% of the ingested 13C label is recovered in breath CO2. We aimed to identify the proportions of ingested label excreted in stool, as well as breath following ingestion of 13C-MTG by children with impaired exocrine pancreatic function and healthy controls. 13C enrichment of breath samples was measured by continuous flow isotope ratio mass spectrometry (IRMS) and cumulative percent dose recovered (cPDR) in 10 h was calculated. Total 13C of a faecal fat extract from each stool was measured by elemental analyser-IRMS, and 13C enrichment and concentration of the TBDMS derivative of octanoic acid was measured by GC/MS after hydrolysis of the fat extract. Stool 5-day cPDR was calculated. Mean breath cPDR was 35%. Mean cPDR in stool by combustion-IRMS and GC/ MS, respectively, was 0.8% and 1.0%. Therefore, the remaining 64% of the 13C label must remain in the body and variability in breath cPDR is due to postabsorptive rather than predigestive factors.     

小尺寸波纹光阑的实验研究

报道了在光路中使用小尺寸波纹光阑代替圆孔光阑的研究结果。应用菲涅耳衍射光强分布理论以及光上光强分布理论对波纹光阑在一定条件下的作用范围进行了分析。用CCD成像系统对实验结果进行记录。结表明实际与理论能较好地吻合。从光路的实际使用效果看，对比圆孔光阑，应用波纹光阑在其作用范围内实现了对光束衍射调制的抑制和填充冈子的提高。     

外腔半导体激光器的空间模式特性分析

通过对宽发光截面半导体激光器(BAL)输出激光空间特性和远场分布的理论分析,并根据激光振荡的自再现原理,导出了反馈注入外腔宽发光截面半导体激光器输出激光的光场分布。计算表明外腔的反馈作用可以看作是频谱面上引入了一个带通滤波器,通过选择特定模式的频谱分量进行反馈注入,从而实现选模和改善输出激光光束质量的目的。完成了相应的外腔反馈注入宽发光截面半导体激光器的实验,获得了单瓣近衍射极限的激光输出,在工作电流为1.18倍阈值电流时,获得远场发散角为0.074°的输出激光,计算得相应的光束衍射倍率因子M2为1.16,和理论计算的结果基本吻合。     

多空间视角及相互感知对协同对象操作的影响研究

在虚拟坦克协同操作系统上研究不同的多空间视角方式(不同空间视角、相同空间视角和单人操作)和相互感知方式(视角共享、语言交流和无感知),在不同任务下对协同对象操作协作效率的影响。结果表明多空间视角方式和相互感知方式对协作效率的影响和具体协作任务紧密相关,在特定协作任务中,合理的多空间视角方式和相互感知方式设计可大大提高系统的协作效率。     

视频会议控制管理系统的设计和实现

目前在国内市场上的视频会议控制管理系统大都只能进行一些简单的会务管理,无法对实时的会议状态进行监测,设计并提出一种能够实现实时信息管理的视频会议控制管理系统,能够更好地加强对视频会议的控制和管理.