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Theoretical Studies of the Ground and Excited Electronic States in Cyclometalated Phenylpyridine Ir(III) Complexes Using Density Functional Theory

✍ Scribed by Hay, P. Jeffrey


Book ID
118243922
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
107 KB
Volume
106
Category
Article
ISSN
1089-5639

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## Abstract Spectroscopic constants of the ground and next seven low‐lying excited states of diatomic molecules CO, N~2~, P~2~, and ScF were computed using the density functional theory SAOP/ATZP model, in conjunction with time‐dependent density functional theory (TD‐DFT) and a recently developed S