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。     

洛坝铅锌矿床的构造演化分析

洛坝铅锌矿床位于黄诸关韧脆性变形带所波及的范围内,断裂、褶皱、劈理、节理等形态构造类型均很发育,经对小型构造的统计及应力场分析证明,矿区变形主要是在海西—印支期长期存在的南北向古应力场持续作用下形成的。     

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…     

金刚石钻头底唇胎体拉槽分析与研究

本文根据河南省小秦岭金矿田在钻探施工中，小口径金刚石钻头底唇胎体拉槽、推光头的现象和特征，全面地观察和剖析了发展规律及导致拉槽的过程，提出了独特的见解和认识，研究出了使用钻头的正确方法，拟供同类矿区借鉴