Ab Initio Calculations for FO3, FO 3 + , and FO 3 - Complexes Formed by Fluorine with Ozone |
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| Authors: | Frecer Vladimir Jain Duli C Sapse Anne-Marie |
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| Institution: | (1) York College of the City, University of New York, Jamaica, New York;(2) Present address: Technological Biopoiymers Laboratory Area di Ricerca, POLY-bios, Padriciano 99, Trieste, I-34012, Italy;(3) City University of New York Graduate Center and John Jay College, New York, NY;(4) Rockefeller University, New York, New York;(5) Science Department, John Jay College, New York, New York, 10019 |
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| Abstract: | 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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| Keywords: | Ozone fluorine complex |
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