Path integral calculation of thermal rate constants within the quantum instanton approximation: Application to the H+CH{sub 4} -> H{sub 2}CH{sub 3} hydrogen abstraction reaction in full Cartesian space
Journal Article
·
· Journal of Chemical Physics
OSTI ID:831101
No abstract prepared.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Director. Office of Science. Office of Basic Energy Sciences. Chemical Sciences Geosciences and Biosciences Division; National Science Foundation Grant CHE-099657. (US)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 831101
- Report Number(s):
- LBNL-53881; JCPSA6; R&D Project: 401501; TRN: US200429%%1472
- Journal Information:
- Journal of Chemical Physics, Vol. 120, Issue 7; Other Information: Journal Publication Date: 02/15/2004; PBD: 7 Oct 2003; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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