Ab initio studies on the photochemical reactions

被引:0
作者
Ding Wanjian [1 ]
Fang Weihai [1 ]
机构
[1] Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China
关键词
photochemistry; reaction mechanism; ab initio investigation; CASSCF; excited states; carbonyl compounds;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Photochemical reaction is one of the most basic, but very important, physical and chemical process, which plays a unique role in many fields. Photochemical reaction is quite difficult to explore theoretically I due to the limit of present computational methods and complication of photochemical reaction processes. This makes it a challenging subject in chemistry and the related fields. The present paper focuses mainly on ab initio studies of excited-state nature and mechanistic photochemistry of carbonyl compounds, which provide some useful information for further investigation of photochemical reactions.
引用
收藏
页码:1449 / 1459
页数:11
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