DOI:
10.1055/s-00000083
Synlett
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References
For example, see: Grimme S.
Chem. Eur. J. 2012;
18: 9955 . While the reported average error for the calculated ΔG values in solutions for a set of inclusion complexes was only 2 kcal/mol, the solvation model overbound C60@9 complex in toluene by 4.5 kcal/mol and did not account properly for the experimentally observed solvent effects; see ref. 15
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