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A theoretical study on the lonic states and the photoelectron spectra of dichlorodifluoromethane (CF2Cl2)

✍ Scribed by Kouichi Takeshita

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
526 KB
Volume
142
Category
Article
ISSN
0022-2852

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✍ Alistair P. Rendell; Charles W. Bauschlicher Jr.; Stephen R. Langhoff πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 435 KB

The potential curves for the X 'II, A %+ and B 2A states of the CF molecule have been determined using large Gaussian basis sets and accounting for electron correlation with the CASSCF/multireference CI method. The transition moment function between the X \*II and A %+ state is found to undergo a dr