Open AccessResolving the amine-promoted hydrolysis mechanism of N 2 O 5 under tropospheric conditions
Author(s) -
Chuan Zhou,
Bai Li,
Jingyan Zhang,
Graeme Henkelman,
Joseph S. Francisco,
Lei Li
Publication year - 2022
Publication title -
proceedings of the national academy of sciences of the united states of america
Language(s) - English
Resource type - Journals
eISSN - 1091-6490
pISSN - 0027-8424
DOI - 10.1073/pnas.2205668119
Subject(s) - methylamine , dimethylamine , chemistry , hydrolysis , molecule , ab initio , thermodynamics , reaction coordinate , gibbs free energy , computational chemistry , exothermic reaction , chemical physics , organic chemistry , physics