Molecular Mechanisms and Atmospheric Implications of Criegee Intermediate–Alcohol Chemistry in the Gas Phase and Aqueous Surface Environments

Criegee intermediates and alcohols are important species in the atmosphere. In this study, we use quantum chemistry and Born–Oppenheimer molecular dynamics (BOMD) simulations to investigate the reaction between methanol/ethanol and Criegee intermediates (anti- or syn-CH3CHOO) in the gas phase and at...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2020-10, Vol.124 (41), p.8585-8593
Hauptverfasser:	Tang, Bo, Li, Zhenyu
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Environmental, Combustion, and Atmospheric Chemistry Aerosol Processes, Geochemistry, and Astrochemistry
Online-Zugang:	Volltext
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