Convex vs. concave π-facial binding of metal cations to a semibuckminsterfullerene: an ab initio study
- 1 January 1994
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 19,p. 2271-2272
- https://doi.org/10.1039/c39940002271
Abstract
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.Keywords
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