High level ab initio thermochemistry of SF5OOO radical
Computational and Theoretical Chemistry(2019)
Abstract
•Geometries with Cs, Cs′ and C1 symmetries are described for the SF5OOO radical.•Vibrational analysis for the SF5OOO radical.•Theoretical estimation of enthalpy of formation for SF5OOO radical.
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Key words
Density functional theory,Ab initio,Sulfur fluoride radicals,Trioxides,Thermochemistry
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