卤代对苝醌类光敏剂光敏活性影响的量子化学研究

以一种新型的醌类光敏剂—菌生素 (HMB)为模型化合物 ,利用量子化学从头算HF/ 6 31G和含时密度泛函TD B3LYP/ 6 31G方法计算研究了卤代作用对醌类光敏剂分子性质和光敏活性的影响 .结果发现 ,卤代作用降低了HMB母体的HOMO和LUMO能级 (EHOMO和ELUMO)及其差值△E ,随卤族元素从上到下 ,EHOMO和ELUMO呈增大趋势 ,而△E呈减小趋势 ,使得分子激发光谱有不同程度的红移 ,在增加PQP三重态量子产率的同时降低了分子最低三重激发态的能量 ,两种作用相互抵消 ,使得卤代物的 1O2 量子产率与母体相似 ;增加了分子的绝热电子亲合势 ,使分子产生O2 -的能力下降 ;卤原子的引入 ,降低了HMB母体分子内氢键的强度 ,同时使顺式构型的分子内质子传递势垒增大 ,而使反式构型势垒减小 .     

Radiative lifetimes of Rydberg states of BeⅠ and BeⅢ

By using the multichannel quantum defect theory(MQDT),we have evaluated the energy levels and lifetimes of 2sns ^3 S1,2snd ^3D(n=3-25)of BeI and 1 sns ^3s1,1snd ^3D(n=3-25)of BeⅢ,These energies and lifetimes that we have calculated not only agree with the recent measurements and theoretical calculation of Ref.4 and Ref.3, but also predict the lifetimes of 66 other highly excited states.     

Polarization-Insensitive All-Optical Time-Division Demultiplexer Constructed with a Nonlinear Loop Interferometer

A polarization-insensitive 40-Gb/s time-division demultiplexer was demonstrated in a polarization-diversity loop configuration. The power penalty was measured to be 2.3 dB at a bit error rates of 10-9 for 10 Gb/s output signals.     

CreditRisk+模型下商业银行经济资本配置研究

对金融资产风险的度量与经济资本的分配应该体现分散化效应,传统的V aR方式不能保证分散化效应的次可加性.本文讨论了基于T a ilV aR这一新的风险度量与经济资本分配标准,并在违约率均值不变情况下,对C red itR isk+模型下的商业银行经济资本分配进行了实证分析.     

Flow Search Approach and New Bounds for the m-Step Linear Conjugate Gradient Algorithm

A flow search approach is presented in this paper. In the approach, each iterative process involves a subproblem, whose variables are the stepsize parameters. Every feasible solution of the subproblem corresponds to some serial search stages, the stepsize parameters in different search stages may interact mutually, and their optimal values are determined by evaluating the total effect of the interaction. The main idea of the flow search approach is illustrated via the minimization of a convex quadratic function. Based on the flow search approach, some properties of the m-step linear conjugate gradient algorithm are analyzed and new bounds on its convergence rate are also presented. Theoretical and numerical results indicate that the new bounds are better than the well-known ones.     

Robust Output Tracking Control of an Uncertain Linear System via a Modified Optimal Linear-Quadratic Method

This study investigates the robust output tracking problem for a class of uncertain linear systems. The uncertainties are assumed to be time invariant and to satisfy the matching conditions. According to the selected nominal parameters, an optimal solution with a prescribed degree of stability is determined. Then, an auxiliary input via the use of an adapting factor, connected to the nominal optimal control, is introduced to guarantee the robustness and prescribed degree of stability for the output tracking control of the uncertain linear systems. This method is very simple and effective and can reject bounded uncertainties imposed on the states. A maglev vehicle model example is given to show its effectiveness.     

Synthesis of acetone oxime through acetone ammoximation over TS-1

The ammoximation of acetone to acetone oxime with 30 wt.% hydrogen peroxide over TS-1 has been studied. The conversion of acetone and the selectivity to acetone oxime can reach 99% and 94%, respectively. The by-products are the corresponding hydrazone, imine and small amounts of unidentified compounds. The influence of various parameters such as solvent, temperature, amounts of catalyst and the NH₃ to acetone molar ratio were investigated. This revised version was published online in August 2006 with corrections to the Cover Date.     

THE GLOBAL THEOREM OF A.N.BERLINSKII

ＳｏｃａｌｔｈｅＢｅｒｌｉｎｓｋｉｔｈｅｏｒｅｍｆｏｒｐｌａｎａｒｑｕａｄｒａｔｉｃＳｙｓｔｅｍ（ＱＳ）ｉｓ：ＴｈｅｏｒｅｍＡ［１］ＳｕｐｐｏｓｅｔｈａｔａＱＳｈａｓ４ｆｉｎｉｔｅｃｒｉｔｉｃａｌｐｏｉｎｔｓ（ＣＰｓ），Ｉｆｔｈｅｑｕａｄｒｉｌａ...     

Full field algebras, operads and tensor categories

We study the operadic and categorical formulations of (conformal) full field algebras. In particular, we show that a grading-restricted R×R-graded full field algebra is equivalent to an algebra over a partial operad constructed from spheres with punctures and local coordinates. This result is generalized to conformal full field algebras over VL⊗VR, where VL and VR are two vertex operator algebras satisfying certain finiteness and reductivity conditions. We also study the geometry interpretation of conformal full field algebras over VL⊗VR equipped with a nondegenerate invariant bilinear form. By assuming slightly stronger conditions on VL and VR, we show that a conformal full field algebra over VL⊗VR equipped with a nondegenerate invariant bilinear form exactly corresponds to a commutative Frobenius algebra with a trivial twist in the category of VL⊗VR-modules. The so-called diagonal constructions [Y.-Z. Huang, L. Kong, Full field algebras, arXiv: math.QA/0511328] of conformal full field algebras are given in tensor-categorical language.