Theoretical Study on the Long-lived Complexes for the Na＋I2 Collision System

For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.     

Solid Phase Synthesis of 2-Substituted 1,3-Oxazin-6-ones Using Resin-bound Cyclic Malonic Acid Ester

A facile solid phase synthesis of 2-substituted 1,3-oxazin-6-ones using polymer-supported Meldrum‘s acid has been reported. Reaction of the resin-bound cyclic malonic acid ester with triethyl orthoformate and subsequent double substitution with amide, afforded the corresponding polymer-supported acylaminomethylene cyclic malonic acid ester, which upon thermal treatment led to 1, 3-oxazin-6-ones in good yields and with high purity.     

β-环糊精固定相在色谱中的应用及发展趋势

β-环糊精(β-CD)对客体分子具有良好的手性识别性，广泛应用作色谱固定相等。本文按键载技术、包裹技术等分类介绍了β-CD类固定相近年来在色谱中的应用及发展趋势，并阐述了对手性识别机理的认识。     

氩离子激光器输出光功率稳定度与光反馈应用

通过实验观测氩离子激光器工作电流与输出光功率及其稳定性之间的关系，采用光反馈解决了反馈工作点的设置和跟踪调解，使输出光功率稳定性得到明显提高。     

Electron Spin Resonance Studies of Mn^2＋ in Freshwater Snail Shells： Pomacea Canaliculata Lamarck and Fossilized Snail Shell

We study paramagnetic Mn^2 ions present in the nowadays shells of univalve freshwater snails of Pomacea canaliculata lamarck (PCL) and the fossilized freshwater snail (FFS), Viviparus. All these shells are abundant in Thailand. The PCL shells were ground into fine powder. A set of seven samples were then separately annealed for 2 h in air atmosphere at different annealing temperatures while the FFS powder was characterized as-received. The PCL shells mainly consist of aragonite and a fraction of calcite. The heat treatments of the PCL powder samples at temperature higher than 450℃ resulted in an irreversible phase transformation from aragonite to calcite. However, it is found that the FFS shell is mainly made of calcite, with a minor fraction of aragonite. The crystal structure of the high-temperature-annealed PCL samples are quite similar to that of FFS, which indicates that the metamorphosis (aragonite→calcite) in the FFS shell had occurred but was not yet completed, although it had remained under the pressure and temperature of the Earth‘s crusts over millions of years. Our detailed ESR spectral analyses of PCL and FFS show that Mn^2 ions enter the Ca^2 sites during a biomineralization process. Simulated ESR parameters of PCL-500 of Mn^2 at a uniaxial site of calcite are reported. It is surprising to And that the ratio of Mn^2 concentration present in FFS to those in PCL shells evaluated from ESR spectra is as much as 10:1.     

含三正辛胺微胶囊对六价铬的富集

本文将对六价铬有效的萃取剂ＴＯＡ（三正辛胺）微胶囊化，制成填充柱型的酸性体系六价铬的富集分离装置。实验结果表明，微胶囊填充柱中每毫升ＴＯＡ对六价铬的最大萃取容量为１５８．０ｇ／ｍＬ，为纯ＴＯＡ液相萃取的４．９倍。微胶囊经碱／水洗涤后，可再生使用。     

神经网络法计算镉（Ⅱ）,羟基及碳酸根三元体系的形态分布

采用前馈线笥网络ＢＰ算法，计算了Ｃｄ６２＋－ＯＨ＾－ＣＯ＾２－３三元体系的累积稳定常数。用Ｈｏｐｆｉｅｌｄ反馈网络研究了体系中络合物的形态分布。溶液中溶解的ＣＯ２对ｌｇβ１的计算结果有重要影响，对ｌｇβ２，ｌｇβ３，ｌｇβ４的结果影响不大。     

量子计算与超冷离子

通过介绍量子计算的基本概念和特点，并对比目前人们使用的计算机的计算方式，对于如何利用囚禁在离子阱中的超冷离子进行量子计算作了简要的叙述．     

恒载超声雾化制取金属粉末的改进方法

本文提出一种改进的超声雾化制取金属粉末方法。克服了因变幅杆负载变化所引起的粉末产率的周期变化，给出装置的框图及有关的参数和实验结果。