Quantum reaction dynamics of C(1D) + HD → CH(CD) + D(H) on the ground state potential energy surface

We present accurate quantum dynamic calculations of the reaction C(¹D) + HD on the latest version of the potential energy surface [Zhang et al., J. Chem. Phys. 140, 234301 (2014)]. Using a Chebyshev real wave packet method with full Coriolis coupling, we obtain the initial state‐specified ( ) reaction probabilities, integral cross sections, and rate constants. The resulting probabilities display oscillatory structures due to numerous long‐lived resonances supported by the deep potential well. The calculated rate constants and CD/CH product branching ratio at room temperature are in reasonably good agreement with the experimental measurements.     

Si4+Si3反应动力学：振动激发态对反应的影响

用准经典轨线方法研究了处于振动激发态的硅原子团簇与硅原子团簇碰撞的反应动力学，计算表明，对于Ｓｉ４＋Ｓｉ３反应，当反应物团簇处于振动激发态时，有利于生成更小团簇的碎片，而对生成Ｓｉ６＋Ｓｉ及Ｓｉ５＋Ｓｉ２的影响不大。     

飞行时间型质量分析器(TOFMS)的研制及应用

自行研制了电子碰撞离子化的飞行时间型质量分析器（ＴＯＦＭＳ），用于物质的化学分析。用研制的ＴＯＦＭＳ测量了Ａｒ离子化的飞行时间谱和离子的部分电离截面积比与碰撞电子能量的依赖关系，将它与Ｓｔｅｐｓｈａｎ等人的实验结果进行了比较。     

电子自旋共振准三维图象的重建方法

根据投影切片原理, 设计了一个简单而有效的ESR图象重建算法和程序, 可利用样品的一集ESR谱, 方便地绘制出样品在某截面的自旋密度立体轮廓图、等值图和散点密度分布图等, 为分析和研究自旋密度的分布及其性质, 提供了直观依据。作为应用, 文中给出了石英杜瓦受紫外光辐照后产生的局部晶格缺陷——F心的空间分布图, 图中清楚表明, F心的浓度与辐照方向和辐照强度的密切关系, 与试验结果完全相符。     

Cross sections for charmonia dissociation in collisions with pions, rhos and kaons

We calculate the unpolarized cross sections for dissociation reactions of charmonia in collisions with π,ρ and K in a potential that is derived from QCD.The reactions are governed by the quark-interchange processes.The mesonic quark-antiquark relative-motion wave functions are determined by the central spinindependent terms of the potential.The numerical wave functions and cross sections are parametrized.The difference of transition amplitudes in the prior form and in the post form is explored by deriving and examining the transition amplitudes of the one-gluon-exchange spin-spin term of the potential in the two forms.We find that the post-prior discrepancy in meson-meson elastic scattering that is governed by quark-interchange processes depends on the difierence of quark or antiquark masses and of quark-antiquark spatial distributions ofthe two mesons.     

Propagating beam analysis of fiber wavelength filters with a depressed-index section

A wavelength filter consisting of single-mode and few-mode fibers is investigated numerically. A simple finite-difference beam-propagation method, in which a transparent boundary condition can be imposed, is developed for circularly symmetric waveguides. After confirming the validity of the numerical method by the mode-mismatch loss, we calculate the propagating field in the fiber wavelength filter, in which interference between LP₀₁, and LP₀₂ modes occurs. To improve the filtering operation, a depressed-index fiber is employed for the few-mode fiber. The effects of the radius and refractive index of the depressed section on the transmission power are revealed and discussed. Power is suppressed to less than 0.1% at 1.3 μm, while maintaining power transmission of more than 85% at 1.55 μm. It is also found that the filtering operation shifts to higher wavelengths as the input power is increased when we choose a self-focusing nonlinear material in the depressed section.     

Radiative decays,photoproduction and total cross section of theψ particles

It is pointed out that the coupling characterizing theψ-γ vertex must change substantially between the limits,ψ on mass-shell which occurs inψ→e ⁺ e ⁻ and photon on mass-shell which is relevant in radiative decays likeψ→ππγ, ψ→ηγ and photoproduction ofψ. This has the consequence that the value ofψN total cross section must be larger than what is inferred from the use of naive vector dominance in photoproduction.     

Comments on selected fundamental aspects of microarray analysis

Microarrays are becoming a ubiquitous tool of research in life sciences. However, the working principles of microarray-based methodologies are often misunderstood or apparently ignored by the researchers who actually perform and interpret experiments. This in turn seems to lead to a common over-expectation regarding the explanatory and/or knowledge-generating power of microarray analyses. In this note we intend to explain basic principles of five (5) major groups of analytical techniques used in studies of microarray data and their interpretation: the principal component analysis (PCA), the independent component analysis (ICA), the t-test, the analysis of variance (ANOVA), and self organizing maps (SOM). We discuss answers to selected practical questions related to the analysis of microarray data. We also take a closer look at the experimental setup and the rules, which have to be observed in order to exploit microarrays efficiently. Finally, we discuss in detail the scope and limitations of microarray-based methods. We emphasize the fact that no amount of statistical analysis can compensate for (or replace) a well thought through experimental setup. We conclude that microarrays are indeed useful tools in life sciences but by no means should they be expected to generate complete answers to complex biological questions. We argue that even well posed questions, formulated within a microarray-specific terminology, cannot be completely answered with the use of microarray analyses alone.     

Temperature-dependent infrared absorption cross sections of methyl cyanide (acetonitrile)

Pressure broadened (1 atm. N₂) absorption cross sections and integrated band intensities have been derived from laboratory spectra of CH₃CN, recorded at 276, 298, and 323 K, covering 600-. The spectra were recorded at a resolution of using a commercial Fourier transform spectrometer and a custom flowing sample delivery system. We report integrated absorption cross sections for intervals corresponding to the most prominent bands, compare the results with previously reported values, and discuss error sources, which are estimated as ∼7% with systematic error the largest error source.     

Holomorphic Vector Bundle on Hopf Manifolds with Abelian Fundamental Groups

Let X be a Hopf manifolds with an Abelian fundamental group. E is a holomorphic vector bundle of rank r with trivial pull-back to W = ℂ ⁿ –{0}. We prove the existence of a non-vanishing section of L⊗E for some line bundle on X and study the vector bundles filtration structure of E. These generalize the results of D. Mall about structure theorem of such a vector bundle E. The research was supported by 973 Project Foundation of China and the Outstanding Youth Science Grant of NSFC (grant no. 19825105)