CH2 + O2: Reaction mechanism, biradical and zwitterionic character, and formation of CH2OO, the simplest Criegee Intermediate

Phys. Chem. Chem. Phys., 2021, Accepted Manuscript DOI: 10.1039/D1CP04372B, PaperElham Mazarei, John R. Barker The singlet and triplet potential surfaces for the title reaction were investigated using the CBS-QB3 level of theory. The wave functions for some species exhibited multireference character and required the... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - December 8, 2021 Category: Chemistry Authors: Elham Mazarei Source Type: research