| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383216 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠A revised version of multi-center molecular Ornstein-Zernike equation is proposed. ⺠Several types of function are examined to investigate the numerical robustness. ⺠Solvation structure of water, benzene and SW-CNT in solution is computed. ⺠Full-parallelization is achieved by utilizing newly proposed reference functions.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Kentaro Kido, Daisuke Yokogawa, Hirofumi Sato,