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.     

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。     

9月“国房景气指数”为104．83

9月份，“国房景气指数”为104．83，比8月份下降O．33点。其中，土地开发面积分类指数为107．97，比8月份下降1．61点，比去年同月下降6．89点。今年1到9月份，全国房地产开发企业完成土地开发面积1．22亿平方米，同比增长8．1％，增幅同比回落30．8个百分点。前三季度累计完成土地开发面积2519万平方米，同比增长33％。     

西安地区单桩桩土相互作用数值模拟分析

随着计算机技术和数值方法的不断发展和完善,使有限元法得到越来越多的应用。根据西安地区原型摩擦桩的地层特点和土性条件,运用有限元基础理论,利用相应的边界条件与假设条件,建立单桩数学模型。通过模型研究了单桩的沉降特性与土共同作用的影响因素,对西安地区单桩桩土相互作用机理进行了探讨。     

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…