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铁道科学与工程学报

JOURNAL OF RAILWAY SCIENCE AND ENGINEERING

Vol. 3    No. 3    September 1993

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EFEECT OF METALLIC CATIONS ON Si-O BONDS IN SILICATES
Yin  Zhoulan ;Gao  Xiaohui

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

ISSN 1672-7029
CN 43-1423/U

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