In contrast with both MNDO and PM3 semiempirical calculations that predict preferential binding of a number of metal cations to the convex face of triindenotriphenylene, ab initio calculations suggest modest to strong preference for the concave side in six of seven cases studied.
A. Sygula and P. W. Rabideau, J. Chem. Soc., Chem. Commun., 1994, 2271 DOI: 10.1039/C39940002271
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