Development of a protocol for the auto-generation of explicit aqueous-phase oxidation schemes of organic compounds

Bräuer, Peter; Mouchel‐Vallon, Camille; Tilgner, Andreas; Mutzel, Anke; Böge, Olaf; Rodigast, Maria; Poulain, Laurent; van Pinxteren, Dominik; Wolke, Ralf; Aumont, Bernard; Herrmann, Hartmut

doi:10.5194/acp-19-9209-2019

Public

Development of a protocol for the auto-generation of explicit aqueous-phase oxidation schemes of organic compounds

Published in Atmospheric chemistry and physics • Jul 19, 2019

Authors:

Peter Bräuer

Camille Mouchel‐Vallon

Andreas Tilgner

Abstract

Abstract. This paper presents a new CAPRAM–GECKO-A protocol for mechanism auto-generation of aqueous-phase organic processes. For the development, kinetic data in the literature were reviewed and a database with 464 aqueous-phase reactions of the hydroxyl radical with organic compounds and 130 nitra...

Subject

Chemistry

Aqueous solution

Radical

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