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A potential-energy surface study of the 2A1 and low-lying dissociative states of the methoxy radicalAccurate, ab initio quantum chemical techniques are applied in the present study of low lying bound and dissociative states of the methoxy radical at C3nu conformations, using a double zeta quality basis set that is augmented with polarization and diffuse functions. Excitation energy estimates are obtained for vertical excitation, vertical deexcitation, and system origin. The rate of methoxy photolysis is estimated to be too small to warrant its inclusion in atmospheric models.
Document ID
19850042528
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Jackels, C. F.
(Wake Forest University Winston-Salem, NC, United States)
Date Acquired
August 12, 2013
Publication Date
January 1, 1985
Publication Information
Publication: Journal of Chemical Physics
Volume: 82
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
85A24679
Funding Number(s)
CONTRACT_GRANT: NSF PRM-81-21880
CONTRACT_GRANT: NCC1-55
Distribution Limits
Public
Copyright
Other

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