Theoretical studies of nonadiabatic and spin-forbidden processes: Investigations of the reactions and spectroscopy of radical species relevant to combustion reactions and diagnostics
Conference
·
OSTI ID:139944
- Johns Hopkins Univ., Baltimore, MD (United States)
This research program focusses on studies of spin-forbidden and electronically nonadiabatic processes involving radical species relevant to combustion reactions and combustion diagnostics. To study the electronic structure aspects of these processes a unique and powerful system of electronic structure programs, developed over the past nine years, the BROOKLYN codes, is employed. These programs enable the authors to address questions basic to the understanding of elementary combustion processes not tractable using more standard quantum chemistry codes.
- Research Organization:
- Brookhaven National Lab., Upton, NY (United States)
- OSTI ID:
- 139944
- Report Number(s):
- BNL--48923; CONF-9306172--; ON: DE93015758
- Country of Publication:
- United States
- Language:
- English
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