Atmospheric Oxidation Mechanism and Kinetic Studies for OH and NO3 Radical-Initiated Reaction of Methyl Methacrylate

Atmospheric Oxidation Mechanism and Kinetic Studies for OH and NO3 Radical-Initiated Reaction of Methyl Methacrylate

The mechanism for OH and NO3 radical-initiated oxidation reactions of methyl methacrylate (MMA) was investigated by using density functional theory (DFT) molecular orbital theory. Geometrical parameters of the reactants, intermediates, transition states, and products were fully optimized at the B3LY...

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Bibliographic Details
Main Authors: Rui Gao, Ledong Zhu, Qingzhu Zhang, Wenxing Wang
Format: Article
Language:English
Published: MDPI AG 2014-03-01
Series:International Journal of Molecular Sciences
Subjects:
atmospheric oxidation
methyl methacrylate
rate constants
reaction mechanism
Online Access:http://www.mdpi.com/1422-0067/15/3/5032

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