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Title: On the possibility of a pseudo atomic ground state for CrF2: Ab initio and crystal field calculations including spin-orbit coupling
Authors: Ribbing, C ×
Dumez, Birgit
Ceulemans, Arnout
Pierloot, Kristine #
Issue Date: Jan-1997
Publisher: Amer chemical soc
Series Title: Journal of Physical Chemistry A vol:101 issue:32 pages:5813-5817
Abstract: Ab-initio and crystal field calculations including spin-orbit coupling suggest that the ground state of the CrF2 complex might have characteristics of an atomic type ground state. It is shown that the crossing of the (5) Sigma(+) and (5) Pi can be compared to a P-5 spin-orbit split atomic state.
ISSN: 1089-5639
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
Clinical Genetics
× corresponding author
# (joint) last author

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