Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5388344 | Chemical Physics Letters | 2007 | 5 Pages |
Abstract
Path integral molecular dynamics simulations for the H6+ and D6+ cluster cations on an accurate ab initio potential energy surface have been performed to understand the floppy nature of their molecular structure due to quantum-mechanical fluctuation.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Akira Kakizaki, Toshiyuki Takayanagi, Motoyuki Shiga,