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.
Original language | English |
---|---|
Pages (from-to) | 544-548 |
Number of pages | 5 |
Journal | Chemical Physics Letters |
Volume | 250 |
Issue number | 5-6 |
DOIs | |
State | Published - 8 Mar 1996 |