Mechanism and Kinetics of Methane Combustion. Part II: Potential Energy Surface for Hydrogen-Abstraction Reaction of CH
- Resource Type
- Authors
- Ya, Peng; Hui, Zhang
- Source
- The journal of physical chemistry. A. 126(12)
- Subject
- Language
- ISSN
- 1520-5215
Methane combustion plays an important role in various fields such as combustion chemistry and atmospheric chemistry of the stratosphere. Highly accurate study of its initial reaction remains a key challenge. Here, through extensive studies with a state-of-the-art ab initio and neural network method, we present a potential energy surface of the O(