Ab Initio Prediction of ^29Si-NMR Chemical Shifts

The ability of several ab initio models to predict experimental 29Si-NMR chemical shift is examined. The shielding values of trimethylsilyl chloride (A), t-butyldimethylsilyl chloride (B) and allyltrimethylsilane (C) are calculated by GIAO, CSGT and IGAIM methods, using HF/6-31G^*, B3LYP/6-31G^* , HF/6-311 G^**, B3LYP/6-311 G^** and MPWlPW91/6-311 G^** models respectively. The 29Si chemical shifts calculated by GIAO method using HF/6-311 G^** model are highly in agreement with those obtained experimentally. All of the models above reproduce the trends of chemical shifts in all cases studied, suggesting that the models are of practical value.     

新疆博斯腾湖沉积岩心的~(210)Pb、~(228)Th、~(239,240)Pu和~3H的分布及意义

作者测定了博斯腾湖沉积岩心~(210)Pb、~(228)Th和核试验释放核素~(239,240)Pu、~3H的分布,并据~(210)Pb、~(228)Th、~(239,240)Pu的结果估算湖泊的沉积速率,分别为0.31cm/a,0.26cm/a和0.33cm/a。它表明该湖泊近百年来沉积环境十分稳定。沉积物岩心极好地保存了人类大气核试验的历史记录。~(239,240)Pu分布在1963±2出现峰值,与60年代核试验高峰期相当吻合。沉积物孔隙水~3H分布的峰值出现在1969年,与湖水的混合过程有关。     

银盘恒星运动学和化学丰度与银河系结构

大样本的银盘恒星的运动学数据和元素丰度特征是研究银河系结构及演化，尤其是银盘形成和演化的2个重要探针。本文首先介绍了银河系的总体结构特征，然后较详细的综述了以上2个探针的重要性。对我国LAMOST项目在研究银河系结构方面，尤其是银盘的形成和演化方面的能力作了合理的分析。     

SORPTION AND DESORPTION CHARACTERISTICS OF CADMIUM BY FOUR DIFFERENT SOILS IN NORTHEAST CHINA

1IN TR O D U C TIO NA s a persistentand toxic pollutant, cadm ium (C d) canresultin m any adverse health effects in a variety oftis-suesand organssuch asthe lung,kidney,urinary,blad-der,pancreas,breast and prostate (SA TA R U G etal.,2003).C adm ium in so…