DFT DESCRIPTION OF STRUCTURE AND BONDING IN TRANSITION-METAL OXIDES

被引：6

作者：

BROCLAWIK, E

机构：

[1] Institute of Catalysis, Polish Academy of Sciences, Cracow

来源：

CATALYSIS TODAY | 1995年 / 23卷 / 04期

关键词：

D O I：

10.1016/0920-5861(94)00152-R

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

The electronic structure of vanadium and molybdenum monoxides have been studied by means of the DFT method, with special attention being paid to bonding characteristics in the oxides. Various physical properties of neutral and ionized molecules are discussed in order to understand their reactivity and catalytic properties.

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页码：379 / 382

页数：4

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