𝔖 Bobbio Scriptorium
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Ab initioand model hypersurfaces for ground and excited state radical reactions

✍ Scribed by Udo Höweler; Martin Klessinger


Book ID
105560360
Publisher
Springer
Year
1983
Tongue
English
Weight
922 KB
Volume
63
Category
Article
ISSN
1432-2234

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Ab initio SCF study of the geometries of
✍ Yasuyuki Ishikawa; R.C. Binning Jr. 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 413 KB

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.