Ab initio kinetics of the HOSO2 + 3O2 → SO3 + HO2 reaction
Author:
Affiliation:
1. Molecular Science and Nano-Materials Lab
2. Institute for Computational Science and Technology
3. SBI Building
4. Quang Trung Software City
5. Ho Chi Minh City
6. International University
7. Vietnam National University – HCMC
8. Vietnam
Abstract
The detailed kinetic mechanism of the HOSO2 + 3O2 reaction, which plays a pivotal role in the atmospheric oxidation of SO2, was investigated using accurate electronic structure calculations and novel master equation/Rice–Ramsperger–Kassel–Marcus (ME/RRKM) rate model.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP07704A
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