The Role of (H2O)1-2 in the CH2O + ClO Gas-Phase Reaction
Mechanism and kinetic studies have been carried out to investigate whether one and two water molecules could play a possible catalytic role on the CH2O + ClO reaction. Density functional theory combined with the coupled cluster theory were employed to explore the potential energy surface and the the...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2018-09-01
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Series: | Molecules |
Subjects: | |
Online Access: | http://www.mdpi.com/1420-3049/23/9/2240 |