Theoretical Kinetics Study of the O([superscript 3]P) + CH[subscript 4]/CD[subscript 4] Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, and Quantum Mechanical Tunneling

Theoretical Kinetics Study of the O([superscript 3]P) + CH[subscript 4]/CD[subscript 4] Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, and Quantum Mechanical Tunneling

Using a recently developed full-dimensional accurate analytical potential energy surface [Gonzalez-Lavado, E., Corchado, J. C., and Espinosa-Garcia, J. J. Chem. Phys. 2014, 140, 064310], we investigate the thermal rate coefficients of the O([superscript 3]P) + CH[subscript 4]/CD[subscript 4] reactio...

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Bibliographic Details
Main Authors:	Gonzalez-Lavado, Eloisa (Author), Corchado, Jose C. (Author), Suleimanov, Yury V. (Contributor), Green, William H. (Contributor), Espinosa-Garcia, Joaquin (Author)
Other Authors:	Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor)
Format:	Article
Language:	English
Published:	American Chemical Society (ACS), 2014-12-18T19:21:26Z.
Subjects:	Article
Online Access:	Get fulltext

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