Modeling complexes of H 2 molecules in fullerenes

• Published in: Chemical physics letters Vol. 410; no. 1; pp. 39 - 41
• Main Author: Dodziuk, Helena
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 10.07.2005

Molecular mechanics calculations indicate that the closure, with the preservation of two H 2 guests inside C 70 host, of the recently synthesized fullerene complex having the cage with a hole, can prove very difficult. C 76 of D 2 symmetry seems to be the smallest fullerene for which the endohedral...