Ab Initio Calculations for FO3, FO3+, and FO3- Complexes Formed by Fluorine with Ozone

被引：0
|
作者：
Vladimir Frecer
Duli C. Jain
Anne-Marie Sapse
机构：
[1] University of New York,York College of the City
[2] POLY-bios,Technological Biopoiymers Laboratory Area di Ricerca
[3] City University of New York Graduate Center and John Jay College,Science Department
[4] Rockefeller University,undefined
[5] John Jay College,undefined
来源：
Structural Chemistry | 1998年 / 9卷
关键词：
Ozone; fluorine; complex;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Complexes formed by fluorine with ozone, featuring neutral, positive, and negative species, as well as the decomposition reactions of the complexes are investigated with quantum chemical calculations, using the 6-311G* and the 6-311+G* basis sets, with the Moller-Plesset method. The most stable structures of the complexes are identified and the energies of the reactions of the complexes' formation and decomposition are obtained.
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页码：9 / 13
页数：4
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