2022
DOI: 10.21203/rs.3.rs-2202310/v1
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Ab initio studies on complexes of ozone with triatomic and larger molecules. 

Abstract: Using coupled cluster methods with quadruple-zeta basis sets stable structures were found for complexes of ozone with common triatomic molecules as well as with ammonia and methane. The largest dissociation energy of 917 cm− 1 was obtained for the hydrogen bonded O3-NH3 complex, exceeding the value for O3-H2O (787 cm− 1). The high dissociation energy of the O3-NH3 complex is seen as an exception to the expected sequence of stabilities. Large dissociation energies were obtained also for O3-SO2 (717 cm− 1), O3-N… Show more

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