Assessing the Viability of the Methylsulfinyl Radical‐Ozone Reaction

Although integral to remote marine atmospheric sulfur chemistry, the reaction between methylsulfinyl radical (CH3SO) and ozone poses challenges to theoretical treatments. The lone theoretical study on this reaction reported an unphysically large barrier of 66 kcal mol−1 for ion of an oxygen atom fro...

Full description

Bibliographic Details

Published in:	Chemphyschem Vol. 21; no. 12; pp. 1289 - 1294
Main Authors:	Estep, Marissa L., Moore, Kevin B., Schaefer, H. F.
Format:	Journal Article
Language:	English
Published:	Germany Wiley Subscription Services, Inc 16-06-2020
Subjects:	ab initio calculations Decomposition reactions density functional calculations Density functional theory Marine chemistry methylsulfinyl radical calculations Ozone Potential energy sulfur chemistry Wave functions ab initio calculations density functional calculations sulfur chemistry methylsulfinyl radical calculations ozone
Online Access:	Get full text
Tags:	Add Tag No Tags, Be the first to tag this record!