Abstract
AbstractPhotoionization cross sections of CF3Br and CF3I were calculated with the molecular‐adapted quantum defect orbital (MQDO) approach. The partial cross sections corresponding to the different Rydberg series that constitute the ionization channels of both molecules from their ground states are reported. Good agreement with experiment was found. An analysis of the results reveals that the cross section profiles are largely independent of the nature of the ligands. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
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