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Ground- and Excited-State Aggregation Properties of a Pyrene Derivative in Aqueous Media

โœ Scribed by Jones, Guilford; Vullev, Valentine I.

Book ID
120047778
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
164 KB
Volume
105
Category
Article
ISSN
1089-5639

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## ลฝ . Density functional DF theory using both local and gradient-corrected functionals is ลฝ . used to optimize the ground-state geometry of CoAl Cl g . The method to obtain the 2 8 multiplet structure includes first-and second-order electrostatic interactions. From these results and the calculati