We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Conversion pathways between a fullerene and a ring among C(20) clusters by a sphere contracting walk method: Remarkable difference in local potential energy landscapes around the fullerene and the ring.
- Authors
Maeda, Satoshi; Ohno, Koichi
- Abstract
Conversion pathways from a fullerene to a ring and vice versa among C(20) clusters have been explored. A new technique has been developed for discovering multistep reaction pathways, which can be searched by finding constrained energy minima on spheres whose surfaces are contracting from the starting point to the terminal. Local landscapes that appeared on the pathways were found to be considerably different around the fullerene and the ring, from which one can make a new interpretation for no generation of the C(20) fullerene in laser vaporization of graphite.
- Publication
The Journal of chemical physics, 2006, Vol 124, Issue 17, p174306
- ISSN
0021-9606
- Publication type
Journal Article
- DOI
10.1063/1.2192784