Uncovering an oxide ion substitution for the OH<sup>−</sup> + CH<sub>3</sub>F reaction
Domonkos A. Tasi, Gábor Czakó
Abstract
Reaction dynamics simulations on a high-level ab initio analytical potential energy surface reveal a novel oxide ion substitution channel for the OH − + CH 3 F reaction.
Topics & Concepts
Substitution (logic)IonOxideChemistryComputer scienceOrganic chemistryProgramming languageAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesAtmospheric chemistry and aerosols