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Solvation and Structural Effects on the Stability of 10-X-2 Ate-Complexes: A Computational Study

✍ Scribed by Wiberg, Kenneth B.; Sklenak, Stepan; Bailey, William F.


Book ID
121433098
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
172 KB
Volume
65
Category
Article
ISSN
0022-3263

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The structures and stability of fullerene derivatives were obtained from the results of density functional theory calculations that were performed on 6 non-classical and 306 classical isomers of C 58 X 18 (X = H, F, Cl). The calculated results demonstrated that the most energetically stable isomers