| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1336019 | Polyhedron | 2011 | 6 Pages |
Abstract
⺠Geometries and spin structures of model manganese clusters with acetate-ion bridges were investigated by using the density functional theory. ⺠On-site repulsion affects the spin structures, implying the reaction mechanism of the oxygen evolving center. ⺠Chameleonic behaviors of high-valent manganese-oxo bonds were discussed.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Keita Kanda, Shusuke Yamanaka, Tohru Saito, Takashi Kawakami, Yasutaka Kitagawa, Mitsutaka Okumura, Haruki Nakamura, Kizashi Yamaguchi,