类铍离子低激发态等电子系列的能量、精细结构和超精细结构

采用多组态相互作用方法及Rayleigh-Ritz 变分方法，并考虑相对论修正和质量极化效应，获得了类铍离子等电子系列（Z=4-10）低激发态1s²2p2p ¹D^e和1s²2p3p ³P^e的相对论能量。同时还计算了精细结构和超精细结构。计算结果与其他理论和实验符合的很好。     

On almost-sure versions of classical limit theorems for dynamical systems

The purpose of this article is to support the idea that “whenever we can prove a limit theorem in the classical sense for a dynamical system, we can prove a suitable almost-sure version based on an empirical measure with log-average”. We follow three different approaches: martingale methods, spectral methods and induction arguments. Our results apply, among others, to Axiom A maps or flows, to systems inducing a Gibbs–Markov map, and to the stadium billiard.     

高压下氢化锂晶体中的离子间力与结合能公式的原子分子设计

本文提出一种利用材料Hugoniot数据研究高压下离子晶体中微观离子状态及其离子间排斥作用势的新方法。对氢化锂晶体进行研究时,我们得到Li~+和H~-离子之间排斥作用势函数,结果表明文献〔1〕中提出的离子压缩效应具有客观性。     

氯化钠团簇的形成规律与结合能计算

当离子蒸气冷凝形成团簇时，其结构表现出特定的规律。文中对不同大小不同形状的氯化钠团簇结构与结合能进行了计算，以求揭示离子蒸气冷凝形成团簇的一些规律，并与实验结果进行对照。     

氯离子柱撑水滑石共沉淀法合成反应动力学

根据氯离子型层状复合氢氧化物(LDH-Cl)制备过程中溶液浓度变化的监测结果和不同反应进程时产物的EDS、IR、XRD、TEM、TG-DTA表征结果,研究了合成LDH-Cl的共沉淀反应动力学特征及机理.实验结果表明, LDH-Cl的生成符合多核层表面反应动力学模型;反应过程中LDH的晶胞参数c从2.421 nm变为2.399 nm,通道高度h由0.3321 nm减小为0.3228 nm,粒子直径Da由6.40 nm增大为15.16 nm, Dc由7.43 nm增大到10.93 nm,纵横比由0.86增大为1.39; IR和TG-DTA特征变化表明了层板对阴离子作用的强度和层板的结构稳定性随反应进程而提高.     

Isolation and identification of nondestructive desulfurization bacterium

A nondestructive desulfurization microorganism has been isolated. The metabolism product analyses show that the strain can be a kind of biocatalyst to oxidize dibenzothiophene (DBT) into 2-hydroxydiphenyl (HBP), therefore the sulfur in DBT is removed selectively. The 16SrRNA information, cell wall analysis, physical, biochemical properties and morphological properties suggest that the isolated strain is Rhodococcus erythropolis. The strain can grow in the basal salts medium (BSM) that DBT concentration is no more than 10 mmol/L, and the optimal DBT concentration for growth is 1 mmol/L, however, the optimal DBT concentration for desulfurization is 0.5 mmol/L. The further research shows that the strain can also desulfur some other or-ganosulfur-containing compounds such as thianaphthene, phenyl sulfide and 4,6-dimethyldiben-zothiophene (4,6-DMDBT).     

Synthesis and Adsorption Property of Two Polymeric Adsorbents with Pendent Ether Bonds

Two polymeric adsorbents, poly(methyl p-vinylbenzvl ether) and oolv(ohenvl p-vinylbenzyl ether), were synthesized from chloromethylated polystyrene, Their adsorptionproperty for phenol in hexane solution was investigated. The results showed that the twoadsorbents adsorb phenol from hexane solution through hydrogen-bonding and π-π stacking interaction.     

Selective bonding of pyrazine to silicon(100)-2x1 surfaces: the role of nitrogen atoms

The covalent binding of pyrazine on Si(100) have been investigated using high-resolution electron energy loss spectroscopy (HREELS) and x-ray photoelectron spectroscopy. Experimental results clearly suggest that the attachment occurs exclusively through the bonding of the two para-nitrogen atoms with the surface without the involvement of the carbon atoms, as evidenced from the retention of the (sp2) C-H stretching mode in HREELS and a significant down shift of 1.6 eV in the binding energy of N 1s. The binding mechanism for pyrazine on Si(100) demonstrates that reaction channels for heteroatomic aromatic molecules are strongly dependent on the electronic properties of the constituent atoms.