A computational study (MM3 and PM3) on the endohedral isomers of C60H2 has been carried out. The exohedral isomers were computed by MM3. A comparison between the computed properties for both isomers is also presented.
Cervelló, E., Ivanov, P., & Jaime, C. (1996). Computational study on the endohedral isomers of C<inf>60</inf>H<inf>2</inf> Fullerene Science and Technology, 4(1), 67-86. https://doi.org/10.1080/10641229608001538