Quantum chemical and theoretical kinetics studies on the reaction of carbonyl sulfide with H, OH and O(3P)

Article ID	Journal	Published Year	Pages	File Type
5394424	Computational and Theoretical Chemistry	2012	9 Pages	PDF

Abstract

âº The PES for the reaction of COS with H, OH and O are explored. âº The rate coefficients are calculated by TST and RRKM theories. âº The fastest chemical sink among the above reactions is HÂ +Â COS. âº The OHÂ +Â COS reaction is not an important chemical sink for COS in the atmosphere.

Keywords

Oxygen atom hydrogen atom Hydroxyl radical Quantum chemical methods Rate constants Carbonyl sulfide

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Quantum chemical and theoretical kinetics studies on the reaction of carbonyl sulfide with H, OH and O(3P)

Authors

Vahid Saheb, Maliheh Alizadeh, Farideh Rezaei, Shima Shahidi,