Molecular Modeling of the Kinetics, Mechanisms and Thermodynamics of the Gas-Phase Thermal Decomposition of O-Isopropyl S-Methyldithiocarbonate
Molecular Modeling of the Kinetics, Mechanisms and Thermodynamics of the Gas-Phase Thermal Decomposition of O-Isopropyl S-Methyldithiocarbonate

Oluwaseun Esan Timothy; Oluwatoba Emmanuel Oyeneyin; Eric Oluwafisayo Akintemi; Adejoro Ajibade Isaiah; Adeleke Babatunde B

Volume 3, Issue 1 , January 2021, , Pages 1-15

https://doi.org/10.22034/ajcb.2021.118051

Abstract
  The gas-phase elimination reaction of O-isopropyl S-methyl dithiocarbonate was studied using density functional theory with a hybrid B3LYP correlation with large 6-31G*, 6-311+G** basis ...  Read More