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High level ab initio thermochemistry of SF5OOO radical

Jessica Andrea Martínez Bernal,Gilles Pieffet,Vaneza Paola Lorett Velásquez,Cristian Buendía-Atencio

Computational and Theoretical Chemistry（2019）

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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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