Electron excitation cross section of atomic transitions in the two‐state approximation

The cross section of the 3s → 3p transition of sodium produced by electron impact has been calculated by performing a numerical integration of the coupled differential equations. The potential functions have been calculated exactly using the hydrogen‐like wave functions for the valence electron of the sodium with an effective charge adjusted to fit the experimental 3s → 3p line strength. The results compare very well with experimental data and with those obtained using more elaborate and sophisticated models.     

Bis(pentafluorophenyl) disulfide as a hydrogen abstractor and an electron acceptor from the resulting radical intermediate

The pentafluorobenzenethiyl radical is an efficient hydrogen abstractor from an activated methylene or methine group and bis(pentafluorophenyl) disulfide is an efficient electron acceptor from the resulting radical intermediate. Thus benzyl-OTBS ether was easily converted into the corresponding pinacol, and 2-phenyl-1,3-dioxanes are converted into the monobenzoates of diols.     

Quantized charge transport in adiabatic pumping by a driven double δ-barrier

We investigate the condition that the charge carried by quantum parametric pumping per cycle is quantized in units of the electron charge e and the role of adiabaticity in charge quantization. Using a driven double-δ-potential model and a Floquet scattering approach, it is found that the quantization phenomenon occurs only at very low frequencies of the oscillating potential and adiabaticity of the potential modulation is crucial for quantization.     

Interpretive approach to collective effects of electrons in multicenter problems

Interpretive theoretical tools prove valuable in guiding the analysis of experiments in the realm of atomic clusters. Here, we review basic elements of an analytic approach that makes it possible to find and visualize the effective electrostatic potential and Coulomb correlations in multicenter problems. To illustrate the utility of these concepts we apply them to exploring molecular-doped metallic clusters. This study is aiming at a systematic, visual assessment of changes induced in screening, Coulomb correlation and effective potential by varying the charge of the electronegative impurity and its position in the cluster cage.     

C D : a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density

A program to compute many functions dependent on the electron density ρ(r) from the results of ab initio molecular calculations is presented. The program allows the generation of different one-, two-, and three-dimensional grids for further graphical representation or numerical analysis. Other options like extracting separate atom contributions to the function computed or locating maximum and minimum values are also implemented. A number of illustrative applications regarding different ρ(r)-dependent functions are presented and the performance and portability of the program is discussed.     

Preparation of well-aligned carbon nanotubes by pyrolysis of phenolic resin in anodic alumina pores

Well-aligned carbon nanotubes (CNTs) of high quality were synthesized by pyrolysis of phenolic resin at 800 °C in anodic alumina oxide (AAO) pores under argon protection. The innocuous source materials and safe operational conditions permit this method to synthesize well-aligned CNTs in large-scale and low cost. The formation mechanism of the synthesized CNTs is also proposed in this work by a series of visual sketches and is proved with obvious evidence. Firstly, phenolic resin nanotubes form in the template pores through the evaporation of solvent. Heat treatment then transfers these tubes into CNTs.     

Photochemical deprotection of nitro-substituted benzenesulfenates via photoinduced electron transfer

The photochemical deprotection of alkyl 2,4-dinitrobenzenesulfenate or alkyl 2-nitrobenzenesulfenate was successfully achieved by addition of triethylamine, while it was unsuccessful without triethylamine. The sulfur-oxygen bond cleavage is thought to occur heterolytically in the sulfenate anion radical produced by photoinduced electron transfer with triethylamine.     

Growth process of TiC clusters from Ti nanoparticles with evaporated carbon layer

Titanium carbide formation by the solid–solid reaction on the surface of Ti nanoparticles was studied in situ using a high-resolution transmission electron microscope with a heating stage. The cross-sectional image of the Ti surface was clearly observed. Vacuum-deposited carbon covered the whole the surface of Ti nanoparticles in spite of the partly evaporation on the nanoparticle surface. The diffusion of the carbon atoms inside the Ti nanoparticles depended on the size of the nanoparticles. When the Ti nanoparticle diameter was less than 30 nm, carbon atoms diffused into the Ti nanoparticle and formed TiC. The superstructure of the Ti nanoparticles was observed, which revealed the growth process of TiC to be the diffusion of carbon atoms. For Ti nanoparticles with diameter larger than 30 nm it was observed that diffusion of Ti atoms into the carbon layer was dominant, which resulted in formation of TiC in the carbon layer at the surface of Ti nanoparticles.     

CO（ a）+ NO（X）传能体系中的新传能通道

在相对碰撞平动能为 0 .0 5eV的分子束实验条件下 ,研究了亚稳态CO(a) +NO(X)的E E传能通道 .通过测量和分析交碰区的传能发射光谱 ,在 780和 860nm处观测到了NO(b -a)跃迁Ogawa带的△v =+ 4和△v =+ 3序的发射光谱 .从而首次在实验上直接证实了传能过程中第四通道的存在 (CO (a) +NO(X)→CO (X) +NO(b) ) .这一通道的发现解释了前人测量到的在CO(a)与NO(X)碰撞传能过程中CO(a)的猝灭速率远大于NO(A ,B)生成速率的实验结果 ,并进一步证实了这一“经典”E E传能体系为电子交换机理的传能观点     

35Cr25Ni12奥氏体耐热钢中碳化物的电子显微分析

应用扫描电镜（SEM）和透射电镜（TEM）研究了长期使用前后的35Cr25Ni12奥氏体耐热钢中的碳化物演变行为；该钢固溶时效后的组织由初晶奥氏体及M23C6共晶碳化物组成，奥氏体基体中析出了二次M23C6，二次碳化物总是与基体保持立方－立方取向关系；长期使用（3、5年）后，奥氏体中析出的二次碳化物量明显增加，部分M23C6已转变为M6C，M6C与奥氏体基体以及二次碳化物M23C6保持[001]M6C//[221]A//[221]M23C6孪晶取向关系。