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Calculation of vertical ionization potentials of chloroketene and dichloroketene by perturbation corrections to koopmans' theorem using an effective core potential

✍ Scribed by Stephen R. Langhoff; Delano P. Chong

Publisher: Elsevier Science
Year: 1983
Tongue: English
Weight: 335 KB
Volume: 100
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(83)87288-1

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✦ Synopsis

The relatively economical procedure of the combined USC of effective core potentials and perturbation corrections to Koopmans' theorem has been applied to chloroketene and dichloroketene. A clearcut assignment of all the bands in the He1 photoelectron spectra is established.

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