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。     

鹤壁等6个矿区被列入国家大型煤炭基地建设规划

本刊讯 近日，国家发改委组织中煤国际工程研究总院等设计、咨询单位编制了大型煤炭基地建设规划，全国共设立13个大型煤炭基地，由98个矿区组成，其中河南基地由鹤壁、焦作、义马、郑州、平顶山、永夏6个矿区组成。     

水热条件下配合物水解及可逆与不可逆反应

水热条件下配合物水解及可逆与不可逆反应王玉荣（中国科学院广州地球化学研究所，广州５１０６４０）关键词配合物水解，可逆与不可逆，实验研究水解作用是水参与地球化学反应过程中最普遍最重要的化学反应过程。天然矿物大多是不可逆反应的产物。红海海底现代沉积铁矿是...     

ANALYSIS OF DRIVING FORCES ON THE CHANGE OF HISTORICAL FARMLAND USE IN SHANDONG PROVINCE DURING THE QING DYNASTY （1644-1911）

How land-cover has been changed by human use over the last 300 years is one of the five overarching questions guiding the Land-use/Cover Change (LUCC) Science/Research Plan. China has variety of historical docu-ments providing unique data superiority. So the characteristics of farmland area in Shandong Province during the Qing Dynasty (1644-1911) are summarized firstly: 1) the rising trend of farmland area was striking; 2) farmland area had re-markable fluctuation; 3) farmland area per capita decreased dramatically; 4) wasteland reclamation index increased rapidly. Then, the driving forces of farmland area change are analyzed. It is concluded that natural and human factors are jointly influential. Among the driving forces, human dimensions are the main factors of farmland area change,which direct the general tendency of the changes mentioned above. And the natural factors influence the stability of farmland area as well. Variation of the natural factors would act as the major contributory factor to farmland area change during years or periods of abrupt climatic changes, or during the intensive occurring periods of natural hazards.Besides, the passive aspects of human factors, such as war chaos also influenced the fluctuation of the farmland area.This research indicates that it is feasible to study the land-use/cover change by Chinese historical literatures, which has huge potential to provide a comprehensive picture of the growing dominance of human land-use and land-cover pat-terns that can be used in many global change research oroiects.     

疏散星团的最新研究进展

疏散星团在天文学和天体物理学研究中有着多方面的重要性。近年来在观测和理论工作上都取得了显著的进展。综述了疏散星团的研究现状，对成员判别、基本参数确定、团与恒星的演化、团的结构和动力学进行了详细评述。