Effect of water and ammonia on the HO + NH3 → NH2 + H2O reaction in troposphere: Competition between single and double hydrogen atom transfer pathways
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DOI: 10.1016/j.comptc.2020.112747
Abstract: Abstract A comprehensive investigation of the roles of H2O and NH3 on the HO + NH3 → NH2 + H2O reaction in the troposphere has been carried out by CCSD(T)-F12a/cc-pVDZ-F12//M06-2X/6–311+G(2d,2p) method, and the canonical variational transition state theory with small curvature… read more here.
Keywords: h2o reaction; hydrogen atom; nh3 nh2; reaction troposphere ... See more keywords