A theoretical study on the reaction mechanism of the gas-phase decomposition of NO by NH3(super +) and NH4(super +)

Authors :: Kobayashi, Yuka
Tajima, Nobuo
Hirao, Kimihiko
Source :: Journal of Physical Chemistry A. July 27, 2000, Vol. 104 Issue 29, p6855, 6 p.
Publication Year :: 2000
Abstract: High level ab initio calculations are performed to examine the mechanism of NO decomposition by NH3 (super +) and NH4 (super +) in a gas phase. Maximum activation energies for the various reactions are estimated at 55.3 and 77.3 kcal/mol.

Subjects :: Ammonia -- Chemical properties
Nitrogen oxide -- Chemical properties
Decomposition (Chemistry) -- Analysis
Chemicals, plastics and rubber industries

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