English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

An exhaustive and theoretical analysis for the CH 3 SCH 3  + HOO •  and CH 3 CH 2 SCH 3  + HOO •  reactions has been examined using quantum chemistry theory. The potential energy surface was obtained by the CCSD(T)/CBS//M06-2X/cc-pVTZ level of theory. The overall rate coefficients have been calculated and the energetics and reaction enthalpies are also calculated. The calculated kinetics demonstrate that the hydrogen abstraction channels from the -CH 3  group in CH 3 SCH 3  and the -CH 2  group in CH 3 CH 2 SCH 3  are major channels in the low temperature region (less than 1000 K). However, the CH 3 -transfer channels forming CH 3 OOH become competitive reaction channels with the increase in temperature.

Theoretical investigation on the mechanisms and kinetics of the reactions of hydroperoxy radical with dimethyl sulphide and ethyl methyl sulphide