Theoretical studies of hydrocarbon combustion chemistry. Annual progress report
The author reports here the results of DZP CISD calculations for methylcarbene. Geometry, symmetry, and vibrational modes for the radical are reported for both the singlet and the triplet state. Future work will focus on the ethyl radical-oxygen interaction relevant to hydrocarbon combustion.
- Research Organization:
- Georgia Univ., Athens, GA (United States). Research Foundation
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG09-87ER13811
- OSTI ID:
- 10175471
- Report Number(s):
- DOE/ER/13811-6; ON: DE94017155; TRN: 94:007745
- Resource Relation:
- Other Information: PBD: [1994]
- Country of Publication:
- United States
- Language:
- English
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