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。     

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…     

Sedimentary characteristics of tide-dominated estuary in Donghetang Formation（Upper Devonian）, central Tarim Basin

The Donghetang Formation （Upper Devonian） in central Tarim Basin has been thought an important oil and gas reservoir since the abundant oil and gas resources were found in the wells W16, W20, W34, and other fields. However, the sedimentary environment of the Donghetang Formation has been disputed because it suffered from both tidal and fluvial actions and there were not rich fossils in the sandstone. After the authors analyzed sedimentary features by means of drill cores, well logging data, paleosols, and with SEM obseruations, three kinds of sedimentary environments were distinguished： alluvial fan, tide-dominated estuary, and shelf. Particularly, the sedimentary features of tide-dominated estuary were studied in detail. Besides, the authors discussed sedimentary characteristics of the Donghetang Formation which was divided into two fourth-order sequences and five system tracts. At the same time, according to the forming process of five system tracts, the whole vertical evolution and lateral transition of tide-dominated estuary were illustrated clearly. Finally, the reservoir quality was evaluated based on porosity and permeability.