Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5386027 | Chemical Physics Letters | 2009 | 6 Pages |
Abstract
Path-integral molecular dynamics simulations for the (H2O)5- and (D2O)5- anion clusters have been performed on the basis of a one-electron pseudopotential model. The calculated results demonstrate the importance of nuclear quantum effects in cluster structures.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Toshiyuki Takayanagi, Takehiro Yoshikawa, Haruki Motegi, Motoyuki Shiga,