N'-芳基-N,N-二乙基乙二胺衍生物荧光光谱的理论研究

采用量子化学密度泛函(B3LYP)方法在6-31g水平上对3种N'-芳基-N,N-二乙基乙二胺衍生物进行构型优化,经振动分析,未出现虚频率。在此基础上用TD-DFT方法计算了3种化合物的荧光激发波长,然后用CIS组态相互作用方法分别优化了3种化合物在激发态的构型,并对其荧光发射光谱进行了计算。计算结果显示,激发与发射光谱与实验值符合的很好。     

LVR-60R催化裂化催化剂的应用与优化

炼油催化装置因自身条件限制,对催化剂单程转化率和生焦产量等方面要求苛刻,本文开发的LVR-60R催化剂,与国内常用LV-23催化剂相比,重油转化能力和生焦选择性等性能方面都有明显的提高.LVR-60R催化剂使用过程平稳,流化良好,试用优化后,主要指标达到国外催化剂水平.目前LVR-60R催化剂已成为南充炼油化工总厂催化裂化装置的主力催化剂,试验结果显示,装置总液收收率和焦炭产率达到了国外催化剂先进水平.     

具有Sturm-Liouville边界条件的四阶奇异微分方程正解的存在性

利用极值原理和上下解方法给出了具有Sturm-Liouville边界条件的四阶奇异微分方程C2[0,1]和C3[0,1]正解的存在性,允许非线性项f(t,u)在u=0和t=0,1处可以是奇异的。     

钌配合物[Ru(phen)2(7-R-dppz)]2+( R=-CH3,-F,-CF3)的合成、表征及DNA键合性质

合成并表征了三个钌(II)多吡啶配合物[Ru(phen)2(7-CH3-dppz)]2+ (i)、[Ru(phen)2(7-F-dppz)]2+ (ii)和 [Ru(phen)2(7-CF3-dppz)]2+ (iii).利用光谱法和粘度实验研究了配合物与DNA的结合行为.结果表明3个配合物均以插入方式与DNA结合,其与DNA的亲和力顺序为(ii) > (i) > (iii).同时采用密度泛函(DFT)理论计算合理解释了3个配合物与DNA结合行为的差异.     

乡村治道变革：从单中心秩序到多中心秩序

新中国成立后，我国政府在广大乡村地区建立起基层政权，形成了一种单中心秩序。这种单中心秩序在人民公社时期得到了极大地强化。改革开放后，“乡政村治”的乡村治理结构的确立，对单中心秩序带来了一定程度地冲击，但未能根本动摇。建设社会主义新农村时期，我国乡村治道需要进行一次深刻的变革，从单中心秩序走向多中心秩序，实现乡村社会的善治。     

Atomic packing and short-to-medium range order evolution of Zr-Pd metallic glass

A larger-scale Zr₇₀Pd₃₀ alloy system has been simulated using molecular dynamics (MD) to investigate structure evolution in Zr₇₀Pd₃₀ metallic glass. The simulated pair distribution function of Zr₇₀Pd₃₀ metallic glass agrees well with the experimental results. Voronoi polyhedron analysis indicates that the icosahedra are not randomly distributed in space, but form characteristic intercrossed icosahedral clusters with medium-range order. Intercrossed icosahedral clusters are the dominant local configurations in Zr₇₀Pd₃₀ metallic glass and probably cause the quasicrystalline phase discovered in Zr₇₀Pd₃₀ metallic glass.     

A revision of the Asian and European species in the subgenus Amiota Loew (Diptera,Drosophilidae) and the establishment of species-groups based on phylogenetic analysis

A total of 53 Amiota (s. str.) species (75% of the world total) from Asia and Europe, including 10 new species, kamui, kimurai and planata from Japan, and aristata, cuii, macai, magniflava, nuerhachii, spinata and watabei from China, are reviewed with designation of two new synonymies and phylogenetic analysis. Based upon the result of cladistic analysis with 31 adult male morphological characters, the following conclusions are deduced: (1) The subgenus Amiota is monophyletic, so far as the Asian and European forms are concerned. (2) Seven monophyletic groups are recognized within this subgenus. Two of them correspond to known species-groups, the apodemata and sinuata groups, and the remaining five are established as new species-groups, the nagatai, basdeni, taurusata, alboguttata and rufescens groups. A key to all the studied species from Asia and Europe is provided.     

“整体子思维”——中国古代“尊道”“贵德”的生存方式与当代启示

基于长期对宇宙生命存在的体悟,中国古代已孕育出以尊道贵德为内涵的整体子思维方式,衍生了整体性的生存哲学。这种整体子思维既包含人们在宇宙中的尊道之理和贵德之质,又蕴藏着社会实践活动中的尊道与贵德合一的存在秩序。而且,人类的生命价值完善就在于以尊道贵德为内容的实践过程。它不但为古代社会秩序建构提供一定的理论依据,同时还成为当代社会有序建构的可能理论来源。     

Dempster-Shafer （D-S） algorithm with credit scale in spectrum sensing

In cognitive radio, the detection probability of primary user affects the signal receiving performance for both primary and secondary users significantly. In this paper, a new Dempster-Shafer (D-S) algorithm with credit scale for decision fusion in spectrum sensing is proposed for the purpose to improve the performance of detection in cognitive radio. The validity of this method is established by simulation in the environment of multiple cognitive users who know their signal to noise ratios (SNR) and a central node. The channels between the cognitive users and the central node are considered to be additive white Gaussian noise (AWGN). Compared with traditional data fusion rules, the proposed D-S algorithm with credit scale provides a better detection performance.     

Statistical inference for simple tree order in the means of stochastic order on stratified contingency tables

In this paper, we consider testing the hypothesis that all multinomial populations in the stratified contingency table are identically distributed against the alternative that all these popula-tions are in simple tree order. We provide an asymptotic represen-tation of the order-restricted maximum likelihood estimate of the unknown parameters. The resulting estimators are proven to be n-consistent and asymptotically normal under appropriate con-ditions. A chi-squared test method is used for this hypothesis t...