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Ab initio SCF and CI study of the electronic structure and the n → π* excitation of CHoCHO, NH2CHO, HOCHO and FCHO

✍ Scribed by Tae-Kyu Ha; LXXX. Keller

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
611 KB
Volume
27
Category
Article
ISSN
0022-2860

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Equilibrium geometries of the ground 0: "A, ) and the first excited electronic state (%I& the barrier to linearity in the ground state, vertical excitation ener@es and associated osctitor strengths or Metties of various excited states have been calculated for the chlorine ditluoride radical CIFz by