SCF MO INDO calculation of g-tensors of some σ-type radicals |
| |
Authors: | Tetsuo Morikawa Osamu Kikuchi Kazuo Someno |
| |
Institution: | (1) Department of Chemistry, Tokyo Kyoiku University, Otsuka, Tokyo;(2) Government Chemical Industrial Research Institute, Tokyo, Honmachi, Shibuya-ku, Tokyo |
| |
Abstract: | The Longuet-Higgins and Pople type SCF MO theory was applied to the all-valence-electron systems of several -type radicals and their g-tensors were theoretically calculated with the Stone's equation. Principal values or diagonalyzed g-tensors were obtained and compared with experimental values in ESR spectra. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|