A DV-X-ALPHA STUDY OF LITHIUM-DOPED MAGNESIUM-OXIDE

被引：6

作者：

ANSHITS, AG

VOSKRESENSKAYA, EN

RIVANENKOV, VV

NASLUZOV, VA

NEIMAN, KM

机构：

[1] Institute of Chemistry of Organic Natural Materials, Krasnoyarsk

来源：

REACTION KINETICS AND CATALYSIS LETTERS | 1992年 / 46卷 / 02期

关键词：

D O I：

10.1007/BF02070947

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Quantum-chemical modeling of Li-doped MgO complexes has been carried out. Interaction of anion vacancies with O2 molecule has been considered. It has been confirmed that this interaction can lead to the pronounced activation of lattice oxygen as a reactant participating in the oxidative coupling of methane.

引用

页码：285 / 291

页数：7