• Chiral recognition by fullerenes: CHFClBr enantiomers in the C82 cage 

      Dodziuk, Helena; Ruud, Kenneth; Korona, Tatiana; Demissie, Taye Beyene (Journal article; Tidsskriftartikkel; Peer reviewed, 2016-08-18)
      Density-functional theory and symmetry-adapted perturbation theory calculations on complexes of the enantiomers of CHFClBr with the most stable isomer of C<sub>82</sub>-3 fullerene show that despite the guests being too large for the host cage, they are nevertheless stabilized by electrostatic interactions. The complexation leads to considerable strain on the cage and the guests accompanied by ...