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Ab initio SCF study of the geometries of methyl radical in the ground and 2E excited states

✍ Scribed by Yasuyuki Ishikawa; R.C. Binning Jr.

Publisher: Elsevier Science
Year: 1976
Tongue: English
Weight: 413 KB
Volume: 40
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(76)85093-2

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✦ Synopsis

Ab initio SCF c&zulations using the generalized coupling operator method have been p&formed OR the ground and two excited states of methyl radical. Geometries of the ground and one excited state have been optimized. Vertical transition energies have also been calculated.

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