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。     

湘西北地区铅锌矿床成矿规律及找矿方向

湘西北地区以盛产层控型低温热卤水铅锌矿床著称。矿床赋存于早寒武世晚期至早奥陶世早期分别受台地边缘相、台前斜坡相和局限台地相控制的碳酸盐地层中。矿体主要呈层状、似层状且具多层性,局部可切层,少数呈脉状。其产出受岩石的原生孔隙和容矿层内构造如虚脱—滑动空间、破碎带及裂隙系统等多因素控制。深大断裂带为主要导矿构造。容矿层不是矿源层,铅锌矿不存在同生沉积特征或痕迹。铅同位素年龄晚于赋矿地层年龄。矿质主要来源于碳酸盐建造以下的一大套碎屑岩建造,部分来自深部和造山带。矿床无围岩蚀变则无铅锌矿化,矿化富集强度与多类型围岩蚀变强度及层内构造空间发育程度呈正相关关系。该地区成矿地质条件优越,在划分出的4个找矿远景区内,许多低工作程度区和找矿空白区里仍具有巨大的找矿潜力,可望找到新的矿床。     

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…