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.     

对青藏东北缘现今块体划分、运动及变形的初步研究

利用2维非连续变形分析方法（DDA），以位移代替围压作为边界约束力，研究青藏东北缘现今块体划分及其运动变形。根据该地区地质构造及地震活动，以GPS点测量位移作为模拟结果约束点，得出了较合理的块体划分模型和随时间演化的主应变分布图，并把应变高值区与近几年来发生的5级以上地震作对比，得出了研究区内地震危险性可能较大的区域。另外，对模拟的甘青块体与阿拉善块体的边缘带断裂左旋运动做了大概计算。     

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。     

The Geologic Time Scale and the Italian stratigraphic record

The construction of the Geologic Time Scale (GTS) is a titanic scientific challenge that has been under way for two centuries and will require much dedicated effort in the future. Italy preserves a paramount stratigraphic record of Mesozoic and Cenozoic marine sediments that have been significant in the development of the modern GTS. The Italian stratigraphic record has been histori-cally important in introducing and defining the standard Chronostratigraphic Units (CUs) of the Neogene and Quaternary. Pelagic successions from Northern Apen-nines and Southern Alps have been used in the seventies for integrating the late Cretaceous-Paleogene Geomag-netic Polarity Time Scale (GPTS) with planktonic microfossil biostratieraohv and standard CUs. This was a major contribution to the construction of a new gener-ation of GTS based on integrated magnetobiochronol-ogy. The middle Miocene to early Pleistocene marinerecord from Sicily and southern Italy has been funda-mental for establishing the recently developed Astro-nomical Time Scale (ATS). In prospect, there are many potentials still to be exploited in the Italian marine stratigraphic record for implementing the GTS by defin-ing GSSPs of various CUs, improving magneto-biochronology and extending downwards the ATS.     

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…     

西南极纳尔逊岛Stansbury半岛火山岩地质特征初论

纳尔逊岛Stansbury半岛被玄武质、玄武安山质熔岩和火山碎屑岩以及沉积火山碎屑岩所覆盖。区域火山岩地层对比证明其是在形成长城站地区火山岩的同一火山作用下发育起来的。据地质接触关系和岩石组合特点,初步认为该半岛火山岩地层可以进一步划分为三个岩性段,分别形成于两期火山作用。该半岛的主要构造线方向平行于菲尔德斯海峡,这在地貌特征及次火山岩的分布上得到了证实。