Transactions of Nonferrous Metals Society of China
JOURNAL OF RAILWAY SCIENCE AND ENGINEERING
|Vol. 3 No. 3 September 1993|
（Central-South University of Technology; Changsha 410083; China）
Abstract:The effect of metallic cations on the Si-O(br) bond and the Si-O(ter) bond was studied with CNDO/2 MO calculations. The characteristics of them were discussed, which were found to vary with the bonding and coordi nation situation of oxygen as well as the effect of metallic cations on oxygen. The conclusions obtained may be well used in the fields of mineralogy, geochemistry, silicate materials, pyrometallurgy and so on.
Key words: silicates Si-O bonds metallic cations quantum chemistry