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Time-Dependent Density Functional Theory Investigation of the Ground and Excited States of Coumarins 102, 152, 153, and 343

✍ Scribed by Cave, Robert J.; Castner, Edward W.


Book ID
126224036
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
78 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