Revisiting the reaction energetics of the CH3O ˙ + O2 (3Σ−) reaction: the crucial role of post-CCSD(T) corrections

Phys. Chem. Chem. Phys., 2019, Advance Article DOI: 10.1039/C8CP07536K, PaperSubhasish Mallick, Amit Kumar, Pradeep Kumar The CH3O ˙ + O2 reaction has been studied by means of high levelab initio calculations to predict the reaction energy and barrier height with chemical accuracy. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 8, 2019 Category: Chemistry Authors: Subhasish Mallick Source Type: research