| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382803 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠The electronic structures of the CaMn4O5 core are theoretically examined. ⺠Two different states of Mn4[III, III, IV, III] and Mn4[III, IV, IV, II] are obtained. ⺠Mn4[II, III, IV, IV] at the S0 state is ruled out. ⺠The geometries of the CaMn4O5 core are important. ⺠The patterns of the hydrogen-bonding networks of water molecules are also important.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Tomoya Ichino, Yasunori Yoshioka,