Author/Authors :
Campbell، نويسنده , , E.E.B. and Fowler، نويسنده , , P.W. and Mitchell، نويسنده , , D. and Zerbetto، نويسنده , , F.، نويسنده ,
Abstract :
The cost of a pentagon adjacency in a fullerene cage grows linearly from 72 kJ mol−1 for C30 to 111 kJ mol−1 for C60, according to systematic QCFF/PI model calculations on a set of 2624 structural isomers.
